4-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]-6-piperidin-1-yl-pyrimidin-2-amine

Systemtic Name: 4-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]-6-piperidin-1-yl-pyrimidin-2-amine Openeye Name: 4-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]-6-(1-piperidyl)pyrimidin-2-amine CAS Name: 4-[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolyl]-6-(1-piperidinyl)-2-pyrimidinamine IUPAC Name: 4-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]-6-piperidin-1-ylpyrimidin-2-amine Traditional Name: [4-[5-(2-amino-6-piperidino-pyrimidin-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]-(1-phenylethyl)amine Formula: C28H29N9 MolecularWeight: 491.59016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)C5=CC(=NC(=N5)N)N6CCCCC6

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)C5=CC(=NC(=N5)N)N6CCCCC6

InChI

InChI=1S/C28H29N9/c1-19(20-8-4-2-5-9-20)32-28-30-13-12-25(35-28)37-18-31-23-16-21(10-11-24(23)37)22-17-26(34-27(29)33-22)36-14-6-3-7-15-36/h2,4-5,8-13,16-19H,3,6-7,14-15H2,1H3,(H2,29,33,34)(H,30,32,35)