7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione

Systemtic Name: 7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-8-thioxo-9H-purine-2,6-dione CAS Name: 7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-(3,4-diethoxybenzyl)-1,3-dimethyl-8-thioxo-9H-purine-2,6-quinone Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C3=C(NC2=S)N(C(=O)N(C3=O)C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C3=C(NC2=S)N(C(=O)N(C3=O)C)C)OCC

InChI

InChI=1S/C18H22N4O4S/c1-5-25-12-8-7-11(9-13(12)26-6-2)10-22-14-15(19-17(22)27)20(3)18(24)21(4)16(14)23/h7-9H,5-6,10H2,1-4H3,(H,19,27)