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

Systemtic Name: N2-(3-chlorophenyl)-N4-(3,4-dimethylphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-(3-chlorophenyl)-N4-(3,4-dimethylphenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-(3-chlorophenyl)-N4-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-(3-chlorophenyl)-4-N-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(3-chloroanilino)-5-nitro-pyrimidin-4-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(=NC(=C2[N+](=O)[O-])N)NC3=CC(=CC=C3)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NC3=CC(=CC=C3)Cl)C

InChI

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