[3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethyl-amino]-2,2-dimethyl-piperidin-1-yl]phosphonic acid

Systemtic Name: [3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethyl-amino]-2,2-dimethyl-piperidin-1-yl]phosphonic acid Openeye Name: [3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethyl-amino]-2,2-dimethyl-1-piperidyl]phosphonic acid CAS Name: [3-[[4-(1-benzimidazolyl)-2-pyrimidinyl]-ethylamino]-2,2-dimethyl-1-piperidinyl]phosphonic acid IUPAC Name: [3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethylamino]-2,2-dimethylpiperidin-1-yl]phosphonic acid Traditional Name: [3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethyl-amino]-2,2-dimethyl-piperidino]phosphonic acid Formula: C20H27N6O3P MolecularWeight: 430.440541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCN(C1(C)C)P(=O)(O)O)C2=NC=CC(=N2)N3C=NC4=CC=CC=C43

Isomeric SMILES

CCN(C1CCCN(C1(C)C)P(=O)(O)O)C2=NC=CC(=N2)N3C=NC4=CC=CC=C43

InChI

InChI=1S/C20H27N6O3P/c1-4-24(17-10-7-13-26(20(17,2)3)30(27,28)29)19-21-12-11-18(23-19)25-14-22-15-8-5-6-9-16(15)25/h5-6,8-9,11-12,14,17H,4,7,10,13H2,1-3H3,(H2,27,28,29)