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

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-propan-2-yl-7H-purin-6-one Openeye Name: 3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-8-isopropyl-7H-purin-6-one CAS Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-propan-2-yl-7H-purin-6-one IUPAC Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-propan-2-yl-7H-purin-6-one Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-benzyl]-8-isopropyl-7H-purin-6-one Formula: C21H26N4O3 MolecularWeight: 382.45614

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c1-13(2)19-23-18-20(24-19)25(12-22-21(18)26)11-14-8-9-16(27-3)17(10-14)28-15-6-4-5-7-15/h8-10,12-13,15H,4-7,11H2,1-3H3,(H,23,24)