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Structure

8-Iodo-1,3-dimethyl-7H-purine-2,6-dione

CAS
24255-56-9
Catalog Number
ACM24255569
Category
Other Products
Molecular Weight
306.061 g/mol
Molecular Formula
C7H7IN4O2

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Specification

Synonyms
8-Iodotheophylline, Theophylline, 8-iodo-, NCIOpen2_008873, Oprea1_314118, Oprea1_676245, NSC78565, STOCK1S-57455, MolPort-000-679-678, MolPort-001-916-088, NSC 78565, CID96531, BRN 0203071, ZINC05175372, BAS 00134730, LS-149609, 2-26-00-00278 (Beilstein Handbook Reference), 8-Iodo-1,3-dimethyl-3,7-dihydro-purine-2,6-dione, F3284-8031, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-iodo-, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-iodo- (9CI)
IUPAC Name
8-iodo-1,3-dimethyl-7H-purine-2,6-dione
Canonical SMILES
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)I
InChI Key
LQDFDEBMWZCIKY-UHFFFAOYSA-N
Boiling Point
488.5ºC at 760 mmHg
Flash Point
249.2ºC
Density
2.11g/cm³
Exact Mass
305.96100
H-Bond Acceptor
3
H-Bond Donor
1
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