N4-(3-chloranyl-4-methyl-phenyl)-5-nitro-N6-pyridin-4-yl-pyrimidine-4,6-diamine

Systemtic Name: N4-(3-chloranyl-4-methyl-phenyl)-5-nitro-N6-pyridin-4-yl-pyrimidine-4,6-diamine Openeye Name: N4-(3-chloro-4-methyl-phenyl)-5-nitro-N6-(4-pyridyl)pyrimidine-4,6-diamine CAS Name: N4-(3-chloro-4-methylphenyl)-5-nitro-N6-pyridin-4-ylpyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chloro-4-methylphenyl)-5-nitro-6-N-pyridin-4-ylpyrimidine-4,6-diamine Traditional Name: [6-(3-chloro-4-methyl-anilino)-5-nitro-pyrimidin-4-yl]-(4-pyridyl)amine Formula: C16H13ClN6O2 MolecularWeight: 356.76642

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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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN6O2/c1-10-2-3-12(8-13(10)17)22-16-14(23(24)25)15(19-9-20-16)21-11-4-6-18-7-5-11/h2-9H,1H3,(H2,18,19,20,21,22)