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

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyl]-8-propan-2-yl-2-sulfanylidene-7H-purin-6-one Openeye Name: 3-[(3,4-dimethoxyphenyl)methyl]-8-isopropyl-2-thioxo-7H-purin-6-one CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-8-propan-2-yl-2-sulfanylidene-7H-purin-6-one IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyl]-8-propan-2-yl-2-sulfanylidene-7H-purin-6-one Traditional Name: 8-isopropyl-2-thioxo-3-veratryl-7H-purin-6-one Formula: C17H20N4O3S MolecularWeight: 360.4307

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O3S/c1-9(2)14-18-13-15(19-14)21(17(25)20-16(13)22)8-10-5-6-11(23-3)12(7-10)24-4/h5-7,9H,8H2,1-4H3,(H,18,19)(H,20,22,25)