N-[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-8-amine

Systemtic Name: N-[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-8-amine Openeye Name: N-[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-8-amine CAS Name: N-[6-(1-benzimidazolyl)-5-nitro-4-pyrimidinyl]-2-methyl-8-quinolinamine IUPAC Name: N-[6-(benzimidazol-1-yl)-5-nitropyrimidin-4-yl]-2-methylquinolin-8-amine Traditional Name: [6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]-(2-methyl-8-quinolyl)amine Formula: C21H15N7O2 MolecularWeight: 397.3895

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])N4C=NC5=CC=CC=C54)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])N4C=NC5=CC=CC=C54)C=C1

InChI

InChI=1S/C21H15N7O2/c1-13-9-10-14-5-4-7-16(18(14)25-13)26-20-19(28(29)30)21(23-11-22-20)27-12-24-15-6-2-3-8-17(15)27/h2-12H,1H3,(H,22,23,26)