4-(benzimidazol-1-yl)-N-[2-[1-(2-diethoxyphosphorylethyl)piperidin-3-yl]ethyl]pyrimidin-2-amine

Systemtic Name: 4-(benzimidazol-1-yl)-N-[2-[1-(2-diethoxyphosphorylethyl)piperidin-3-yl]ethyl]pyrimidin-2-amine Openeye Name: 4-(benzimidazol-1-yl)-N-[2-[1-(2-diethoxyphosphorylethyl)-3-piperidyl]ethyl]pyrimidin-2-amine CAS Name: 4-(1-benzimidazolyl)-N-[2-[1-(2-diethoxyphosphorylethyl)-3-piperidinyl]ethyl]-2-pyrimidinamine IUPAC Name: 4-(benzimidazol-1-yl)-N-[2-[1-(2-diethoxyphosphorylethyl)piperidin-3-yl]ethyl]pyrimidin-2-amine Traditional Name: [4-(benzimidazol-1-yl)pyrimidin-2-yl]-[2-[1-(2-diethoxyphosphorylethyl)-3-piperidyl]ethyl]amine Formula: C24H35N6O3P MolecularWeight: 486.546861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCN1CCCC(C1)CCNC2=NC=CC(=N2)N3C=NC4=CC=CC=C43)OCC

Isomeric SMILES

CCOP(=O)(CCN1CCCC(C1)CCNC2=NC=CC(=N2)N3C=NC4=CC=CC=C43)OCC

InChI

InChI=1S/C24H35N6O3P/c1-3-32-34(31,33-4-2)17-16-29-15-7-8-20(18-29)11-13-25-24-26-14-12-23(28-24)30-19-27-21-9-5-6-10-22(21)30/h5-6,9-10,12,14,19-20H,3-4,7-8,11,13,15-18H2,1-2H3,(H,25,26,28)