N-[4-(piperidin-1-ylmethyl)phenyl]-5-propan-2-yloxy-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine

Systemtic Name: N-[4-(piperidin-1-ylmethyl)phenyl]-5-propan-2-yloxy-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine Openeye Name: 5-isopropoxy-N-[4-(1-piperidylmethyl)phenyl]-4-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-2-amine CAS Name: N-[4-(1-piperidinylmethyl)phenyl]-5-propan-2-yloxy-4-[4-(2-pyridinyl)-1-piperazinyl]-2-pyrimidinamine IUPAC Name: N-[4-(piperidin-1-ylmethyl)phenyl]-5-propan-2-yloxy-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine Traditional Name: [5-isopropoxy-4-[4-(2-pyridyl)piperazino]pyrimidin-2-yl]-[4-(piperidinomethyl)phenyl]amine Formula: C28H37N7O MolecularWeight: 487.63968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CN=C(N=C1N2CCN(CC2)C3=CC=CC=N3)NC4=CC=C(C=C4)CN5CCCCC5

Isomeric SMILES

CC(C)OC1=CN=C(N=C1N2CCN(CC2)C3=CC=CC=N3)NC4=CC=C(C=C4)CN5CCCCC5

InChI

InChI=1S/C28H37N7O/c1-22(2)36-25-20-30-28(31-24-11-9-23(10-12-24)21-33-14-6-3-7-15-33)32-27(25)35-18-16-34(17-19-35)26-8-4-5-13-29-26/h4-5,8-13,20,22H,3,6-7,14-19,21H2,1-2H3,(H,30,31,32)