3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-(2-oxidanylpropan-2-yl)-2-sulfanylidene-7H-purin-6-one

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-(2-oxidanylpropan-2-yl)-2-sulfanylidene-7H-purin-6-one Openeye Name: 3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-8-(1-hydroxy-1-methyl-ethyl)-2-thioxo-7H-purin-6-one CAS Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-(2-hydroxypropan-2-yl)-2-sulfanylidene-7H-purin-6-one IUPAC Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-(2-hydroxypropan-2-yl)-2-sulfanylidene-7H-purin-6-one Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-benzyl]-8-(1-hydroxy-1-methyl-ethyl)-2-thioxo-7H-purin-6-one Formula: C21H26N4O4S MolecularWeight: 430.52054

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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)OC4CCCC4)O

Isomeric SMILES

CC(C)(C1=NC2=C(N1)C(=O)NC(=S)N2CC3=CC(=C(C=C3)OC)OC4CCCC4)O

InChI

InChI=1S/C21H26N4O4S/c1-21(2,27)19-22-16-17(23-19)25(20(30)24-18(16)26)11-12-8-9-14(28-3)15(10-12)29-13-6-4-5-7-13/h8-10,13,27H,4-7,11H2,1-3H3,(H,22,23)(H,24,26,30)