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

Systemtic Name: 5-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine Openeye Name: 5-methoxy-N-[4-(1-piperidylmethyl)phenyl]-4-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-2-amine CAS Name: 5-methoxy-N-[4-(1-piperidinylmethyl)phenyl]-4-[4-(2-pyridinyl)-1-piperazinyl]-2-pyrimidinamine IUPAC Name: 5-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine Traditional Name: [5-methoxy-4-[4-(2-pyridyl)piperazino]pyrimidin-2-yl]-[4-(piperidinomethyl)phenyl]amine Formula: C26H33N7O MolecularWeight: 459.58652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=C(N=C1N2CCN(CC2)C3=CC=CC=N3)NC4=CC=C(C=C4)CN5CCCCC5

Isomeric SMILES

COC1=CN=C(N=C1N2CCN(CC2)C3=CC=CC=N3)NC4=CC=C(C=C4)CN5CCCCC5

InChI

InChI=1S/C26H33N7O/c1-34-23-19-28-26(29-22-10-8-21(9-11-22)20-31-13-5-2-6-14-31)30-25(23)33-17-15-32(16-18-33)24-7-3-4-12-27-24/h3-4,7-12,19H,2,5-6,13-18,20H2,1H3,(H,28,29,30)