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

Systemtic Name: N-[(4-methylmorpholin-2-yl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-amine Openeye Name: N-[(4-methylmorpholin-2-yl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-amine CAS Name: N-[(4-methyl-2-morpholinyl)methyl]-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolamine IUPAC Name: N-[(4-methylmorpholin-2-yl)methyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-amine Traditional Name: (4-methylmorpholin-2-yl)methyl-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amine Formula: C25H29N7O MolecularWeight: 443.54406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NCC5CN(CCO5)C

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NCC5CN(CCO5)C

InChI

InChI=1S/C25H29N7O/c1-18(19-6-4-3-5-7-19)29-25-26-11-10-24(30-25)32-17-28-22-14-20(8-9-23(22)32)27-15-21-16-31(2)12-13-33-21/h3-11,14,17-18,21,27H,12-13,15-16H2,1-2H3,(H,26,29,30)