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

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-(phenylmethoxymethyl)-7H-purin-6-one Openeye Name: 8-(benzyloxymethyl)-3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-7H-purin-6-one CAS Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-(phenylmethoxymethyl)-7H-purin-6-one IUPAC Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-(phenylmethoxymethyl)-7H-purin-6-one Traditional Name: 8-(benzoxymethyl)-3-[3-(cyclopentoxy)-4-methoxy-benzyl]-7H-purin-6-one Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C=NC(=O)C3=C2N=C(N3)COCC4=CC=CC=C4)OC5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C=NC(=O)C3=C2N=C(N3)COCC4=CC=CC=C4)OC5CCCC5

InChI

InChI=1S/C26H28N4O4/c1-32-21-12-11-19(13-22(21)34-20-9-5-6-10-20)14-30-17-27-26(31)24-25(30)29-23(28-24)16-33-15-18-7-3-2-4-8-18/h2-4,7-8,11-13,17,20H,5-6,9-10,14-16H2,1H3,(H,28,29)