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

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-(2-oxidanylpropan-2-yl)-7H-purin-6-one Openeye Name: 3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-8-(1-hydroxy-1-methyl-ethyl)-7H-purin-6-one CAS Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-(2-hydroxypropan-2-yl)-7H-purin-6-one IUPAC Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-(2-hydroxypropan-2-yl)-7H-purin-6-one Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-benzyl]-8-(1-hydroxy-1-methyl-ethyl)-7H-purin-6-one Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=NC2=C(N1)C(=O)N=CN2CC3=CC(=C(C=C3)OC)OC4CCCC4)O

Isomeric SMILES

CC(C)(C1=NC2=C(N1)C(=O)N=CN2CC3=CC(=C(C=C3)OC)OC4CCCC4)O

InChI

InChI=1S/C21H26N4O4/c1-21(2,27)20-23-17-18(24-20)25(12-22-19(17)26)11-13-8-9-15(28-3)16(10-13)29-14-6-4-5-7-14/h8-10,12,14,27H,4-7,11H2,1-3H3,(H,23,24)