3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-propan-2-yl-7H-purine-2,6-dione

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-propan-2-yl-7H-purine-2,6-dione Openeye Name: 3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-8-isopropyl-7H-purine-2,6-dione CAS Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-propan-2-yl-7H-purine-2,6-dione IUPAC Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-propan-2-yl-7H-purine-2,6-dione Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-benzyl]-8-isopropyl-7H-purine-2,6-quinone Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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