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Structure

4H-Pyrrolo[2,3-d]pyrimidin-4-one,3,7-dihydro-2-(methylthio)-

CAS
67831-83-8
Catalog Number
ACM67831838
Category
Other Products
Molecular Weight
181.215
Molecular Formula
C7H7N3OS

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Specification

Synonyms
MolPort-000-140-357, NSC124161, NSC673094, AIDS146348, AIDS-146348, CID276402, ZINC18211661, 2-(Methylthio)-7H-pyrrolo[2,3-d]pyrimidin-4-ol, 3,4-Dihydro-2-[methylthio]-4H-pyrrolo[2,3-d]pyrimidin-4-one, 2-(Methylsulfanyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, 4H-pyrazolo[3,4-d]pyrimidin-4-one, 6-amino-1-(2-deoxypentofuranosyl)-1,5-dihydro-3-iodo-, 6-amino-1-(2-deoxypentofuranosyl)-3-iodo-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, 67831-83-8, InChI=1/C7H7N3OS/c1-12-7-9-5-4(2-3-8-5)6(11)10-7/h2-3H,1H3,(H2,8,9,10,11
IUPAC Name
2-methylsulfanyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
Canonical SMILES
CSC1=NC(=O)C2=C(N1)NC=C2
InChI Key
YLZXOIATWSHVDK-UHFFFAOYSA-N
Boiling Point
422.3ºC at 760mmHg
Melting Point
296-298ºC
Flash Point
209.2ºC
Density
1.6g/cm³
Exact Mass
181.03100
Hazard Statements
Xi
H-Bond Acceptor
2
H-Bond Donor
2
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