2-chloranyl-N4-(3,4-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: 2-chloranyl-N4-(3,4-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: 2-chloro-N4-(3,4-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: 2-chloro-N4-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 2-chloro-4-N-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (6-amino-2-chloro-5-nitro-pyrimidin-4-yl)-(3,4-dimethylphenyl)amine Formula: C12H12ClN5O2 MolecularWeight: 293.70898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClN5O2/c1-6-3-4-8(5-7(6)2)15-11-9(18(19)20)10(14)16-12(13)17-11/h3-5H,1-2H3,(H3,14,15,16,17)