4-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]benzene-1,2-diamine

Systemtic Name: 4-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]benzene-1,2-diamine Openeye Name: 4-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]benzene-1,2-diamine CAS Name: 4-[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolyl]benzene-1,2-diamine IUPAC Name: 4-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]benzene-1,2-diamine Traditional Name: [4-[5-(3,4-diaminophenyl)benzimidazol-1-yl]pyrimidin-2-yl]-(1-phenylethyl)amine Formula: C25H23N7 MolecularWeight: 421.49702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)C5=CC(=C(C=C5)N)N

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)C5=CC(=C(C=C5)N)N

InChI

InChI=1S/C25H23N7/c1-16(17-5-3-2-4-6-17)30-25-28-12-11-24(31-25)32-15-29-22-14-19(8-10-23(22)32)18-7-9-20(26)21(27)13-18/h2-16H,26-27H2,1H3,(H,28,30,31)