6-(benzotriazol-1-yl)-N-(4-methylphenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(benzotriazol-1-yl)-N-(4-methylphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(benzotriazol-1-yl)-5-nitro-N-(p-tolyl)pyrimidin-4-amine CAS Name: 6-(1-benzotriazolyl)-N-(4-methylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(benzotriazol-1-yl)-N-(4-methylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-(p-tolyl)amine Formula: C17H13N7O2 MolecularWeight: 347.33082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H13N7O2/c1-11-6-8-12(9-7-11)20-16-15(24(25)26)17(19-10-18-16)23-14-5-3-2-4-13(14)21-22-23/h2-10H,1H3,(H,18,19,20)