N4-(5-chloranyl-2-methyl-phenyl)-N6-naphthalen-1-yl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(5-chloranyl-2-methyl-phenyl)-N6-naphthalen-1-yl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2-methyl-phenyl)-N6-(1-naphthyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2-methylphenyl)-N6-(1-naphthalenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2-methylphenyl)-6-N-naphthalen-1-yl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]-(1-naphthyl)amine Formula: C21H16ClN5O2 MolecularWeight: 405.83704

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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=CC4=CC=CC=C43

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H16ClN5O2/c1-13-9-10-15(22)11-18(13)26-21-19(27(28)29)20(23-12-24-21)25-17-8-4-6-14-5-2-3-7-16(14)17/h2-12H,1H3,(H2,23,24,25,26)