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

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-7H-purin-6-one Openeye Name: 3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-7H-purin-6-one CAS Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-7H-purin-6-one IUPAC Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-7H-purin-6-one Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-benzyl]-7H-purin-6-one Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C=NC(=O)C3=C2N=CN3)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C=NC(=O)C3=C2N=CN3)OC4CCCC4

InChI

InChI=1S/C18H20N4O3/c1-24-14-7-6-12(8-15(14)25-13-4-2-3-5-13)9-22-11-21-18(23)16-17(22)20-10-19-16/h6-8,10-11,13H,2-5,9H2,1H3,(H,19,20)