6-(benzimidazol-1-yl)-N-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(benzimidazol-1-yl)-N-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(benzimidazol-1-yl)-N-(5-chloro-2,4-dimethoxy-phenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-benzimidazolyl)-N-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(benzimidazol-1-yl)-N-(5-chloro-2,4-dimethoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]-(5-chloro-2,4-dimethoxy-phenyl)amine Formula: C19H15ClN6O4 MolecularWeight: 426.8132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])N3C=NC4=CC=CC=C43)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])N3C=NC4=CC=CC=C43)Cl)OC

InChI

InChI=1S/C19H15ClN6O4/c1-29-15-8-16(30-2)13(7-11(15)20)24-18-17(26(27)28)19(22-9-21-18)25-10-23-12-5-3-4-6-14(12)25/h3-10H,1-2H3,(H,21,22,24)