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

Systemtic Name: N-(2-methylpropyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-amine Openeye Name: N-isobutyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-amine CAS Name: N-(2-methylpropyl)-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolamine IUPAC Name: N-(2-methylpropyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-amine Traditional Name: isobutyl-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amine Formula: C23H26N6 MolecularWeight: 386.49274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=CC2=C(C=C1)N(C=N2)C3=NC(=NC=C3)NC(C)C4=CC=CC=C4

Isomeric SMILES

CC(C)CNC1=CC2=C(C=C1)N(C=N2)C3=NC(=NC=C3)NC(C)C4=CC=CC=C4

InChI

InChI=1S/C23H26N6/c1-16(2)14-25-19-9-10-21-20(13-19)26-15-29(21)22-11-12-24-23(28-22)27-17(3)18-7-5-4-6-8-18/h4-13,15-17,25H,14H2,1-3H3,(H,24,27,28)