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

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-(2-phenylmethoxypropan-2-yl)-2-sulfanylidene-7H-purin-6-one Openeye Name: 8-(1-benzyloxy-1-methyl-ethyl)-3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-2-thioxo-7H-purin-6-one CAS Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-(2-phenylmethoxypropan-2-yl)-2-sulfanylidene-7H-purin-6-one IUPAC Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-(2-phenylmethoxypropan-2-yl)-2-sulfanylidene-7H-purin-6-one Traditional Name: 8-(1-benzoxy-1-methyl-ethyl)-3-[3-(cyclopentoxy)-4-methoxy-benzyl]-2-thioxo-7H-purin-6-one Formula: C28H32N4O4S MolecularWeight: 520.64308

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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)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C1=NC2=C(N1)C(=O)NC(=S)N2CC3=CC(=C(C=C3)OC)OC4CCCC4)OCC5=CC=CC=C5

InChI

InChI=1S/C28H32N4O4S/c1-28(2,35-17-18-9-5-4-6-10-18)26-29-23-24(30-26)32(27(37)31-25(23)33)16-19-13-14-21(34-3)22(15-19)36-20-11-7-8-12-20/h4-6,9-10,13-15,20H,7-8,11-12,16-17H2,1-3H3,(H,29,30)(H,31,33,37)