[1-(8-methylpurin-7-yl)cyclopropyl]methyl benzoate

Systemtic Name: [1-(8-methylpurin-7-yl)cyclopropyl]methyl benzoate Openeye Name: [1-(8-methylpurin-7-yl)cyclopropyl]methyl benzoate CAS Name: benzoic acid [1-(8-methyl-7-purinyl)cyclopropyl]methyl ester IUPAC Name: [1-(8-methylpurin-7-yl)cyclopropyl]methyl benzoate Traditional Name: benzoic acid [1-(8-methylpurin-7-yl)cyclopropyl]methyl ester Formula: C17H16N4O2 MolecularWeight: 308.33454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NC=NC=C2N1C3(CC3)COC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=NC=NC=C2N1C3(CC3)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C17H16N4O2/c1-12-20-15-14(9-18-11-19-15)21(12)17(7-8-17)10-23-16(22)13-5-3-2-4-6-13/h2-6,9,11H,7-8,10H2,1H3