N-[4-[3-[(2-methoxyphenyl)methylamino]-2-phenyl-piperidin-1-yl]butyl]pyrimidin-2-amine hydrochloride

Systemtic Name: N-[4-[3-[(2-methoxyphenyl)methylamino]-2-phenyl-piperidin-1-yl]butyl]pyrimidin-2-amine hydrochloride Openeye Name: N-[4-[3-[(2-methoxyphenyl)methylamino]-2-phenyl-1-piperidyl]butyl]pyrimidin-2-amine hydrochloride CAS Name: N-[4-[3-[(2-methoxyphenyl)methylamino]-2-phenyl-1-piperidinyl]butyl]-2-pyrimidinamine hydrochloride IUPAC Name: N-[4-[3-[(2-methoxyphenyl)methylamino]-2-phenylpiperidin-1-yl]butyl]pyrimidin-2-amine hydrochloride Traditional Name: o-anisyl-[2-phenyl-1-[4-(2-pyrimidylamino)butyl]-3-piperidyl]amine hydrochloride Formula: C27H36ClN5O MolecularWeight: 482.06064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC2CCCN(C2C3=CC=CC=C3)CCCCNC4=NC=CC=N4.Cl

Isomeric SMILES

COC1=CC=CC=C1CNC2CCCN(C2C3=CC=CC=C3)CCCCNC4=NC=CC=N4.Cl

InChI

InChI=1S/C27H35N5O.ClH/c1-33-25-15-6-5-13-23(25)21-31-24-14-9-20-32(26(24)22-11-3-2-4-12-22)19-8-7-16-28-27-29-17-10-18-30-27;/h2-6,10-13,15,17-18,24,26,31H,7-9,14,16,19-21H2,1H3,(H,28,29,30);1H