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

Systemtic Name: 7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-thioxo-9H-purine-2,6-dione CAS Name: 7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-thioxo-9H-purine-2,6-quinone Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=S)N2)CCC3=CC=C(C=C3)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=S)N2)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C16H18N4O3S/c1-18-13-12(14(21)19(2)16(18)22)20(15(24)17-13)9-8-10-4-6-11(23-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,17,24)