1,3-dimethyl-8-[(4-phenylmethoxyphenyl)methyl]-6-sulfanylidene-7H-purin-2-one

Systemtic Name: 1,3-dimethyl-8-[(4-phenylmethoxyphenyl)methyl]-6-sulfanylidene-7H-purin-2-one Openeye Name: 8-[(4-benzyloxyphenyl)methyl]-1,3-dimethyl-6-thioxo-7H-purin-2-one CAS Name: 1,3-dimethyl-8-[(4-phenylmethoxyphenyl)methyl]-6-sulfanylidene-7H-purin-2-one IUPAC Name: 1,3-dimethyl-8-[(4-phenylmethoxyphenyl)methyl]-6-sulfanylidene-7H-purin-2-one Traditional Name: 8-(4-benzoxybenzyl)-1,3-dimethyl-6-thioxo-7H-purin-2-one Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=S)N(C1=O)C)NC(=N2)CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=S)N(C1=O)C)NC(=N2)CC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S/c1-24-19-18(20(28)25(2)21(24)26)22-17(23-19)12-14-8-10-16(11-9-14)27-13-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,22,23)