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

Systemtic Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-thioxo-9H-purine-2,6-dione CAS Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-thioxo-9H-purine-2,6-quinone Formula: C15H16N4O3S MolecularWeight: 332.37754

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CCC3=CC=C(C=C3)OC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C15H16N4O3S/c1-18-12-11(13(20)17-14(18)21)19(15(23)16-12)8-7-9-3-5-10(22-2)6-4-9/h3-6H,7-8H2,1-2H3,(H,16,23)(H,17,20,21)