[6-azanyl-9-(phenylmethyl)purin-8-yl] benzoate

Systemtic Name: [6-azanyl-9-(phenylmethyl)purin-8-yl] benzoate Openeye Name: (6-amino-9-benzyl-purin-8-yl) benzoate CAS Name: benzoic acid [6-amino-9-(phenylmethyl)-8-purinyl] ester IUPAC Name: (6-amino-9-benzylpurin-8-yl) benzoate Traditional Name: benzoic acid (6-amino-9-benzyl-purin-8-yl) ester Formula: C19H15N5O2 MolecularWeight: 345.3547

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N)N=C2OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N)N=C2OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H15N5O2/c20-16-15-17(22-12-21-16)24(11-13-7-3-1-4-8-13)19(23-15)26-18(25)14-9-5-2-6-10-14/h1-10,12H,11H2,(H2,20,21,22)