4-(5-methylbenzimidazol-1-yl)-N-[1-(3-nitrophenyl)ethyl]pyrimidin-2-amine

Systemtic Name: 4-(5-methylbenzimidazol-1-yl)-N-[1-(3-nitrophenyl)ethyl]pyrimidin-2-amine Openeye Name: 4-(5-methylbenzimidazol-1-yl)-N-[1-(3-nitrophenyl)ethyl]pyrimidin-2-amine CAS Name: 4-(5-methyl-1-benzimidazolyl)-N-[1-(3-nitrophenyl)ethyl]-2-pyrimidinamine IUPAC Name: 4-(5-methylbenzimidazol-1-yl)-N-[1-(3-nitrophenyl)ethyl]pyrimidin-2-amine Traditional Name: [4-(5-methylbenzimidazol-1-yl)pyrimidin-2-yl]-[1-(3-nitrophenyl)ethyl]amine Formula: C20H18N6O2 MolecularWeight: 374.39592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C=N2)C3=NC(=NC=C3)NC(C)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N(C=N2)C3=NC(=NC=C3)NC(C)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O2/c1-13-6-7-18-17(10-13)22-12-25(18)19-8-9-21-20(24-19)23-14(2)15-4-3-5-16(11-15)26(27)28/h3-12,14H,1-2H3,(H,21,23,24)