2-chloranyl-6-[4-(phenylmethyl)piperidin-1-yl]-7H-purine hydrochloride

Systemtic Name: 2-chloranyl-6-[4-(phenylmethyl)piperidin-1-yl]-7H-purine hydrochloride Openeye Name: 6-(4-benzyl-1-piperidyl)-2-chloro-7H-purine hydrochloride CAS Name: 2-chloro-6-[4-(phenylmethyl)-1-piperidinyl]-7H-purine hydrochloride IUPAC Name: 6-(4-benzylpiperidin-1-yl)-2-chloro-7H-purine hydrochloride Traditional Name: 6-(4-benzylpiperidino)-2-chloro-7H-purine hydrochloride Formula: C17H19Cl2N5 MolecularWeight: 364.27226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=NC(=NC4=C3NC=N4)Cl.Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=NC(=NC4=C3NC=N4)Cl.Cl

InChI

InChI=1S/C17H18ClN5.ClH/c18-17-21-15-14(19-11-20-15)16(22-17)23-8-6-13(7-9-23)10-12-4-2-1-3-5-12;/h1-5,11,13H,6-10H2,(H,19,20,21,22);1H