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

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-sulfanylidene-7H-purin-6-one Openeye Name: 3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-8-[1-[(4-methoxyphenyl)methoxy]-1-methyl-ethyl]-2-thioxo-7H-purin-6-one CAS Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-sulfanylidene-7H-purin-6-one IUPAC Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-sulfanylidene-7H-purin-6-one Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-benzyl]-8-(1-methyl-1-p-anisyloxy-ethyl)-2-thioxo-7H-purin-6-one Formula: C29H34N4O5S MolecularWeight: 550.66906

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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=C(C=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H34N4O5S/c1-29(2,37-17-18-9-12-20(35-3)13-10-18)27-30-24-25(31-27)33(28(39)32-26(24)34)16-19-11-14-22(36-4)23(15-19)38-21-7-5-6-8-21/h9-15,21H,5-8,16-17H2,1-4H3,(H,30,31)(H,32,34,39)