N4-(4-chlorophenyl)-N2-(3,4-dimethylphenyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(4-chlorophenyl)-N2-(3,4-dimethylphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(4-chlorophenyl)-N2-(3,4-dimethylphenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(4-chlorophenyl)-N2-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(4-chlorophenyl)-2-N-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(4-chloroanilino)-5-nitro-pyrimidin-2-yl]-(3,4-dimethylphenyl)amine Formula: C18H17ClN6O2 MolecularWeight: 384.81958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN6O2/c1-10-3-6-14(9-11(10)2)22-18-23-16(20)15(25(26)27)17(24-18)21-13-7-4-12(19)5-8-13/h3-9H,1-2H3,(H4,20,21,22,23,24)