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

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-[2-(pyridin-4-ylmethoxy)propan-2-yl]-2-sulfanylidene-7H-purin-6-one Openeye Name: 3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-8-[1-methyl-1-(4-pyridylmethoxy)ethyl]-2-thioxo-7H-purin-6-one CAS Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-[2-(pyridin-4-ylmethoxy)propan-2-yl]-2-sulfanylidene-7H-purin-6-one IUPAC Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-[2-(pyridin-4-ylmethoxy)propan-2-yl]-2-sulfanylidene-7H-purin-6-one Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-benzyl]-8-[1-methyl-1-(4-pyridylmethoxy)ethyl]-2-thioxo-7H-purin-6-one Formula: C27H31N5O4S MolecularWeight: 521.63114

Click to see the large picture

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=NC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H31N5O4S/c1-27(2,35-16-17-10-12-28-13-11-17)25-29-22-23(30-25)32(26(37)31-24(22)33)15-18-8-9-20(34-3)21(14-18)36-19-6-4-5-7-19/h8-14,19H,4-7,15-16H2,1-3H3,(H,29,30)(H,31,33,37)