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

Systemtic Name: N4-(3-chloranyl-2-methyl-phenyl)-N6-(4-ethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3-chloro-2-methyl-phenyl)-N6-(4-ethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3-chloro-2-methylphenyl)-N6-(4-ethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chloro-2-methylphenyl)-6-N-(4-ethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]-(4-ethylphenyl)amine Formula: C19H18ClN5O2 MolecularWeight: 383.83152

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C(=CC=C3)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C(=CC=C3)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN5O2/c1-3-13-7-9-14(10-8-13)23-18-17(25(26)27)19(22-11-21-18)24-16-6-4-5-15(20)12(16)2/h4-11H,3H2,1-2H3,(H2,21,22,23,24)