1,3-dimethyl-8-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)amino]-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)amino]-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[(4-oxo-2-thioxo-thiazolidin-3-yl)amino]-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(4-oxo-2-sulfanylidene-3-thiazolidinyl)amino]-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)amino]-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-[(4-keto-2-thioxo-thiazolidin-3-yl)amino]-1,3-dimethyl-7-(3-phenylpropyl)xanthine Formula: C19H20N6O3S2 MolecularWeight: 444.5305

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN3C(=O)CSC3=S)CCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN3C(=O)CSC3=S)CCCC4=CC=CC=C4

InChI

InChI=1S/C19H20N6O3S2/c1-22-15-14(16(27)23(2)18(22)28)24(10-6-9-12-7-4-3-5-8-12)17(20-15)21-25-13(26)11-30-19(25)29/h3-5,7-8H,6,9-11H2,1-2H3,(H,20,21)