2-[(2-chloranyl-7H-purin-6-yl)amino]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)amino]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[(2-chloro-7H-purin-6-yl)amino]ethanone CAS Name: 2-[(2-chloro-7H-purin-6-yl)amino]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[(2-chloro-7H-purin-6-yl)amino]ethanone Traditional Name: 1-(4-benzylpiperidino)-2-[(2-chloro-7H-purin-6-yl)amino]ethanone Formula: C19H21ClN6O MolecularWeight: 384.86264

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CNC3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CNC3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C19H21ClN6O/c20-19-24-17(16-18(25-19)23-12-22-16)21-11-15(27)26-8-6-14(7-9-26)10-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H2,21,22,23,24,25)