[2-(hydroxymethyl)-4-(6-methylpurin-9-yl)cyclopentyl]methyl benzoate

Systemtic Name: [2-(hydroxymethyl)-4-(6-methylpurin-9-yl)cyclopentyl]methyl benzoate Openeye Name: [2-(hydroxymethyl)-4-(6-methylpurin-9-yl)cyclopentyl]methyl benzoate CAS Name: benzoic acid [2-(hydroxymethyl)-4-(6-methyl-9-purinyl)cyclopentyl]methyl ester IUPAC Name: [2-(hydroxymethyl)-4-(6-methylpurin-9-yl)cyclopentyl]methyl benzoate Traditional Name: benzoic acid [2-methylol-4-(6-methylpurin-9-yl)cyclopentyl]methyl ester Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC=N1)N(C=N2)C3CC(C(C3)COC(=O)C4=CC=CC=C4)CO

Isomeric SMILES

CC1=C2C(=NC=N1)N(C=N2)C3CC(C(C3)COC(=O)C4=CC=CC=C4)CO

InChI

InChI=1S/C20H22N4O3/c1-13-18-19(22-11-21-13)24(12-23-18)17-7-15(9-25)16(8-17)10-27-20(26)14-5-3-2-4-6-14/h2-6,11-12,15-17,25H,7-10H2,1H3