3-[(3,4-dimethoxyphenyl)methyl]-8-(2-phenylmethoxypropan-2-yl)-2-sulfanylidene-7H-purin-6-one

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyl]-8-(2-phenylmethoxypropan-2-yl)-2-sulfanylidene-7H-purin-6-one Openeye Name: 8-(1-benzyloxy-1-methyl-ethyl)-3-[(3,4-dimethoxyphenyl)methyl]-2-thioxo-7H-purin-6-one CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-8-(2-phenylmethoxypropan-2-yl)-2-sulfanylidene-7H-purin-6-one IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyl]-8-(2-phenylmethoxypropan-2-yl)-2-sulfanylidene-7H-purin-6-one Traditional Name: 8-(1-benzoxy-1-methyl-ethyl)-2-thioxo-3-veratryl-7H-purin-6-one Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=NC2=C(N1)C(=O)NC(=S)N2CC3=CC(=C(C=C3)OC)OC)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C1=NC2=C(N1)C(=O)NC(=S)N2CC3=CC(=C(C=C3)OC)OC)OCC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O4S/c1-24(2,32-14-15-8-6-5-7-9-15)22-25-19-20(26-22)28(23(33)27-21(19)29)13-16-10-11-17(30-3)18(12-16)31-4/h5-12H,13-14H2,1-4H3,(H,25,26)(H,27,29,33)