(phenylmethyl) 4-purin-1-ylpiperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-purin-1-ylpiperazine-1-carboxylate Openeye Name: benzyl 4-purin-1-ylpiperazine-1-carboxylate CAS Name: 4-(1-purinyl)-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-purin-1-ylpiperazine-1-carboxylate Traditional Name: 4-purin-1-ylpiperazine-1-carboxylic acid benzyl ester Formula: C17H18N6O2 MolecularWeight: 338.36382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)OCC2=CC=CC=C2)N3C=C4C(=NC=N4)N=C3

Isomeric SMILES

C1CN(CCN1C(=O)OCC2=CC=CC=C2)N3C=C4C(=NC=N4)N=C3

InChI

InChI=1S/C17H18N6O2/c24-17(25-11-14-4-2-1-3-5-14)21-6-8-22(9-7-21)23-10-15-16(20-13-23)19-12-18-15/h1-5,10,12-13H,6-9,11H2