6-(benzimidazol-1-yl)-N-(3-chloranyl-4-methyl-phenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(benzimidazol-1-yl)-N-(3-chloranyl-4-methyl-phenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(benzimidazol-1-yl)-N-(3-chloro-4-methyl-phenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-benzimidazolyl)-N-(3-chloro-4-methylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(benzimidazol-1-yl)-N-(3-chloro-4-methylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]-(3-chloro-4-methyl-phenyl)amine Formula: C18H13ClN6O2 MolecularWeight: 380.78782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C=NC4=CC=CC=C43)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C=NC4=CC=CC=C43)Cl

InChI

InChI=1S/C18H13ClN6O2/c1-11-6-7-12(8-13(11)19)23-17-16(25(26)27)18(21-9-20-17)24-10-22-14-4-2-3-5-15(14)24/h2-10H,1H3,(H,20,21,23)