3-[1-[[4-[5-(2-azanylpyrimidin-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-N-phenyl-piperidine-1-carboxamide

Systemtic Name: 3-[1-[[4-[5-(2-azanylpyrimidin-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-N-phenyl-piperidine-1-carboxamide Openeye Name: 3-[1-[[4-[5-(2-aminopyrimidin-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-N-phenyl-piperidine-1-carboxamide CAS Name: 3-[1-[[4-[5-(2-amino-4-pyrimidinyl)-1-benzimidazolyl]-2-pyrimidinyl]amino]ethyl]-N-phenyl-1-piperidinecarboxamide IUPAC Name: 3-[1-[[4-[5-(2-aminopyrimidin-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-N-phenylpiperidine-1-carboxamide Traditional Name: 3-[1-[[4-[5-(2-aminopyrimidin-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-N-phenyl-piperidine-1-carboxamide Formula: C29H30N10O MolecularWeight: 534.6149

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCN(C1)C(=O)NC2=CC=CC=C2)NC3=NC=CC(=N3)N4C=NC5=C4C=CC(=C5)C6=NC(=NC=C6)N

Isomeric SMILES

CC(C1CCCN(C1)C(=O)NC2=CC=CC=C2)NC3=NC=CC(=N3)N4C=NC5=C4C=CC(=C5)C6=NC(=NC=C6)N

InChI

InChI=1S/C29H30N10O/c1-19(21-6-5-15-38(17-21)29(40)35-22-7-3-2-4-8-22)34-28-32-14-12-26(37-28)39-18-33-24-16-20(9-10-25(24)39)23-11-13-31-27(30)36-23/h2-4,7-14,16,18-19,21H,5-6,15,17H2,1H3,(H,35,40)(H2,30,31,36)(H,32,34,37)