1,3-dimethyl-7-[2-oxidanylidene-2-(2-phenethylimino-1,3-thiazolidin-3-yl)ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-oxidanylidene-2-(2-phenethylimino-1,3-thiazolidin-3-yl)ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-oxo-2-(2-phenethyliminothiazolidin-3-yl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-oxo-2-(2-phenethylimino-3-thiazolidinyl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-oxo-2-(2-phenethylimino-1,3-thiazolidin-3-yl)ethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-(2-phenethyliminothiazolidin-3-yl)ethyl]-1,3-dimethyl-xanthine Formula: C20H22N6O3S MolecularWeight: 426.49208

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCSC3=NCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCSC3=NCCC4=CC=CC=C4

InChI

InChI=1S/C20H22N6O3S/c1-23-17-16(18(28)24(2)20(23)29)25(13-22-17)12-15(27)26-10-11-30-19(26)21-9-8-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3