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

Systemtic Name: N-[4-[3-[(2-methoxyphenyl)methylamino]-2-phenyl-piperidin-1-yl]butyl]pyrimidin-2-amine Openeye Name: N-[4-[3-[(2-methoxyphenyl)methylamino]-2-phenyl-1-piperidyl]butyl]pyrimidin-2-amine CAS Name: N-[4-[3-[(2-methoxyphenyl)methylamino]-2-phenyl-1-piperidinyl]butyl]-2-pyrimidinamine IUPAC Name: N-[4-[3-[(2-methoxyphenyl)methylamino]-2-phenylpiperidin-1-yl]butyl]pyrimidin-2-amine Traditional Name: o-anisyl-[2-phenyl-1-[4-(2-pyrimidylamino)butyl]-3-piperidyl]amine Formula: C27H35N5O MolecularWeight: 445.5997

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N5O/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)