N6-(3,4-dichlorophenyl)-N4-(2-methylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(3,4-dichlorophenyl)-N4-(2-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3,4-dichlorophenyl)-5-nitro-N4-(o-tolyl)pyrimidine-4,6-diamine CAS Name: N6-(3,4-dichlorophenyl)-N4-(2-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3,4-dichlorophenyl)-4-N-(2-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3,4-dichloroanilino)-5-nitro-pyrimidin-4-yl]-(o-tolyl)amine Formula: C17H13Cl2N5O2 MolecularWeight: 390.22342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H13Cl2N5O2/c1-10-4-2-3-5-14(10)23-17-15(24(25)26)16(20-9-21-17)22-11-6-7-12(18)13(19)8-11/h2-9H,1H3,(H2,20,21,22,23)