4-(5-methyl-4-nitro-benzimidazol-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine

Systemtic Name: 4-(5-methyl-4-nitro-benzimidazol-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine Openeye Name: 4-(5-methyl-4-nitro-benzimidazol-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine CAS Name: 4-(5-methyl-4-nitro-1-benzimidazolyl)-N-(1-phenylethyl)-2-pyrimidinamine IUPAC Name: 4-(5-methyl-4-nitrobenzimidazol-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine Traditional Name: [4-(5-methyl-4-nitro-benzimidazol-1-yl)pyrimidin-2-yl]-(1-phenylethyl)amine Formula: C20H18N6O2 MolecularWeight: 374.39592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N(C=N2)C3=NC(=NC=C3)NC(C)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=C(C=C1)N(C=N2)C3=NC(=NC=C3)NC(C)C4=CC=CC=C4)[N+](=O)[O-]

InChI

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