N4-[2,5-bis(chloranyl)phenyl]-N6-(2-methoxy-5-methyl-phenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[2,5-bis(chloranyl)phenyl]-N6-(2-methoxy-5-methyl-phenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2,5-dichlorophenyl)-N6-(2-methoxy-5-methyl-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,5-dichlorophenyl)-N6-(2-methoxy-5-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2,5-dichlorophenyl)-6-N-(2-methoxy-5-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,5-dichloroanilino)-5-nitro-pyrimidin-4-yl]-(2-methoxy-5-methyl-phenyl)amine Formula: C18H15Cl2N5O3 MolecularWeight: 420.2494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15Cl2N5O3/c1-10-3-6-15(28-2)14(7-10)24-18-16(25(26)27)17(21-9-22-18)23-13-8-11(19)4-5-12(13)20/h3-9H,1-2H3,(H2,21,22,23,24)