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

Systemtic Name: 4-(benzimidazol-1-yl)-N-[2-(1-dimethoxyphosphorylpiperidin-3-yl)ethyl]pyrimidin-2-amine Openeye Name: 4-(benzimidazol-1-yl)-N-[2-(1-dimethoxyphosphoryl-3-piperidyl)ethyl]pyrimidin-2-amine CAS Name: 4-(1-benzimidazolyl)-N-[2-(1-dimethoxyphosphoryl-3-piperidinyl)ethyl]-2-pyrimidinamine IUPAC Name: 4-(benzimidazol-1-yl)-N-[2-(1-dimethoxyphosphorylpiperidin-3-yl)ethyl]pyrimidin-2-amine Traditional Name: [4-(benzimidazol-1-yl)pyrimidin-2-yl]-[2-(1-dimethoxyphosphoryl-3-piperidyl)ethyl]amine Formula: C20H27N6O3P MolecularWeight: 430.440541

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(N1CCCC(C1)CCNC2=NC=CC(=N2)N3C=NC4=CC=CC=C43)OC

Isomeric SMILES

COP(=O)(N1CCCC(C1)CCNC2=NC=CC(=N2)N3C=NC4=CC=CC=C43)OC

InChI

InChI=1S/C20H27N6O3P/c1-28-30(27,29-2)25-13-5-6-16(14-25)9-11-21-20-22-12-10-19(24-20)26-15-23-17-7-3-4-8-18(17)26/h3-4,7-8,10,12,15-16H,5-6,9,11,13-14H2,1-2H3,(H,21,22,24)