N-methyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-(pyrrolidin-2-ylmethyl)benzimidazol-5-amine

Systemtic Name: N-methyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-(pyrrolidin-2-ylmethyl)benzimidazol-5-amine Openeye Name: N-methyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-(pyrrolidin-2-ylmethyl)benzimidazol-5-amine CAS Name: N-methyl-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-N-(2-pyrrolidinylmethyl)-5-benzimidazolamine IUPAC Name: N-methyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-(pyrrolidin-2-ylmethyl)benzimidazol-5-amine Traditional Name: methyl-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]-(pyrrolidin-2-ylmethyl)amine Formula: C25H29N7 MolecularWeight: 427.54466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)N(C)CC5CCCN5

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)N(C)CC5CCCN5

InChI

InChI=1S/C25H29N7/c1-18(19-7-4-3-5-8-19)29-25-27-14-12-24(30-25)32-17-28-22-15-21(10-11-23(22)32)31(2)16-20-9-6-13-26-20/h3-5,7-8,10-12,14-15,17-18,20,26H,6,9,13,16H2,1-2H3,(H,27,29,30)