[4-(2-azanylpurin-9-yl)-2-(hydroxymethyl)butyl] benzoate

Systemtic Name: [4-(2-azanylpurin-9-yl)-2-(hydroxymethyl)butyl] benzoate Openeye Name: [4-(2-aminopurin-9-yl)-2-(hydroxymethyl)butyl] benzoate CAS Name: benzoic acid [4-(2-amino-9-purinyl)-2-(hydroxymethyl)butyl] ester IUPAC Name: [4-(2-aminopurin-9-yl)-2-(hydroxymethyl)butyl] benzoate Traditional Name: benzoic acid [4-(2-aminopurin-9-yl)-2-methylol-butyl] ester Formula: C17H19N5O3 MolecularWeight: 341.36446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC(CCN2C=NC3=CN=C(N=C32)N)CO

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC(CCN2C=NC3=CN=C(N=C32)N)CO

InChI

InChI=1S/C17H19N5O3/c18-17-19-8-14-15(21-17)22(11-20-14)7-6-12(9-23)10-25-16(24)13-4-2-1-3-5-13/h1-5,8,11-12,23H,6-7,9-10H2,(H2,18,19,21)