CAS
99745-11-6 Purity
96%
99745-11-6 Purity
96%
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1,2,3,4-Tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinecarboxylic acid ethyl ester
CAS
99747-55-4
Catalog Number
ACM99747554
Category
Other Products
Molecular Weight
487.486801
Molecular Formula
C27H26N3O4P
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Specification
Synonyms
1,2,3,4-Tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinecarboxylic acid ethyl ester
IUPAC Name
ethyl 1,3-dimethyl-2,4-dioxo-6-[(triphenyl-$l^{5}-phosphanylidene)amino]pyrimidine-5-carboxylate
Canonical SMILES
CCOC(=O)C1=C(N(C(=O)N(C1=O)C)C)N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI Key
USJZVTFUUMIONT-UHFFFAOYSA-N
Exact Mass
487.16600
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of 1,2,3,4-Tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinecarboxylic acid ethyl ester?
The molecular formula is C27H26N3O4P.
When was this compound created in PubChem?
It was created on March 26, 2005.
What is the modified date of this compound in PubChem?
The modified date is December 30, 2023.
What is the IUPAC name of this compound?
The IUPAC name is ethyl 1,3-dimethyl-2,4-dioxo-6-[(triphenyl-λ 5 -phosphanylidene)amino]pyrimidine-5-carboxylate.
Can you provide the InChI of this compound?
InChI=1S/C27H26N3O4P/c1-4-34-26(32)23-24(29(2)27(33)30(3)25(23)31)28-35(20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19H,4H2,1-3H3
What is the InChIKey of this compound?
The InChIKey is USJZVTFUUMIONT-UHFFFAOYSA-N.
What is the Canonical SMILES of this compound?
CCOC(=O)C1=C(N(C(=O)N(C1=O)C)C)N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
What is the molecular weight of this compound?
The molecular weight is 487.5 g/mol.
How many hydrogen bond acceptor counts does this compound have?
It has 5 hydrogen bond acceptor counts.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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CAS
99747-54-3 Purity
96%
99747-54-3 Purity
96%
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