N-(3-methylbutyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-amine

Systemtic Name: N-(3-methylbutyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-amine Openeye Name: N-isopentyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-amine CAS Name: N-(3-methylbutyl)-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolamine IUPAC Name: N-(3-methylbutyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-amine Traditional Name: isoamyl-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amine Formula: C24H28N6 MolecularWeight: 400.51932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=CC2=C(C=C1)N(C=N2)C3=NC(=NC=C3)NC(C)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCNC1=CC2=C(C=C1)N(C=N2)C3=NC(=NC=C3)NC(C)C4=CC=CC=C4

InChI

InChI=1S/C24H28N6/c1-17(2)11-13-25-20-9-10-22-21(15-20)27-16-30(22)23-12-14-26-24(29-23)28-18(3)19-7-5-4-6-8-19/h4-10,12,14-18,25H,11,13H2,1-3H3,(H,26,28,29)