N4-(5-chloranyl-2-methyl-phenyl)-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(5-chloranyl-2-methyl-phenyl)-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2-methyl-phenyl)-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2-methylphenyl)-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2-methylphenyl)-5-nitro-6-N-(3-nitrophenyl)pyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]-(3-nitrophenyl)amine Formula: C17H13ClN6O4 MolecularWeight: 400.77592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN6O4/c1-10-5-6-11(18)7-14(10)22-17-15(24(27)28)16(19-9-20-17)21-12-3-2-4-13(8-12)23(25)26/h2-9H,1H3,(H2,19,20,21,22)