(phenylmethyl) 4-[[(2-azanyl-7H-purin-6-yl)amino]methyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[(2-azanyl-7H-purin-6-yl)amino]methyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[[(2-amino-7H-purin-6-yl)amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[(2-amino-7H-purin-6-yl)amino]methyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[(2-amino-7H-purin-6-yl)amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[(2-amino-7H-purin-6-yl)amino]methyl]piperidine-1-carboxylic acid benzyl ester Formula: C19H23N7O2 MolecularWeight: 381.43162

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC2=NC(=NC3=C2NC=N3)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1CNC2=NC(=NC3=C2NC=N3)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C19H23N7O2/c20-18-24-16(15-17(25-18)23-12-22-15)21-10-13-6-8-26(9-7-13)19(27)28-11-14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H4,20,21,22,23,24,25)