N4-(3,4-dimethylphenyl)-5-nitro-N6-pyridin-4-yl-pyrimidine-4,6-diamine

Systemtic Name: N4-(3,4-dimethylphenyl)-5-nitro-N6-pyridin-4-yl-pyrimidine-4,6-diamine Openeye Name: N4-(3,4-dimethylphenyl)-5-nitro-N6-(4-pyridyl)pyrimidine-4,6-diamine CAS Name: N4-(3,4-dimethylphenyl)-5-nitro-N6-pyridin-4-ylpyrimidine-4,6-diamine IUPAC Name: 4-N-(3,4-dimethylphenyl)-5-nitro-6-N-pyridin-4-ylpyrimidine-4,6-diamine Traditional Name: [6-(3,4-dimethylanilino)-5-nitro-pyrimidin-4-yl]-(4-pyridyl)amine Formula: C17H16N6O2 MolecularWeight: 336.34794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=NC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=NC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H16N6O2/c1-11-3-4-14(9-12(11)2)22-17-15(23(24)25)16(19-10-20-17)21-13-5-7-18-8-6-13/h3-10H,1-2H3,(H2,18,19,20,21,22)