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

Systemtic Name: 1,3-dimethyl-8-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)amino]-7-phenethyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[(4-oxo-2-thioxo-thiazolidin-3-yl)amino]-7-phenethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(4-oxo-2-sulfanylidene-3-thiazolidinyl)amino]-7-phenethylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)amino]-7-phenethylpurine-2,6-dione Traditional Name: 8-[(4-keto-2-thioxo-thiazolidin-3-yl)amino]-1,3-dimethyl-7-phenethyl-xanthine Formula: C18H18N6O3S2 MolecularWeight: 430.50392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN3C(=O)CSC3=S)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN3C(=O)CSC3=S)CCC4=CC=CC=C4

InChI

InChI=1S/C18H18N6O3S2/c1-21-14-13(15(26)22(2)17(21)27)23(9-8-11-6-4-3-5-7-11)16(19-14)20-24-12(25)10-29-18(24)28/h3-7H,8-10H2,1-2H3,(H,19,20)