N2-(3-chloranyl-4-methyl-phenyl)-N4-methyl-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N2-(3-chloranyl-4-methyl-phenyl)-N4-methyl-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-(3-chloro-4-methyl-phenyl)-N4-methyl-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-(3-chloro-4-methylphenyl)-N4-methyl-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-(3-chloro-4-methylphenyl)-4-N-methyl-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(3-chloro-4-methyl-anilino)-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C12H13ClN6O2 MolecularWeight: 308.72362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN6O2/c1-6-3-4-7(5-8(6)13)16-12-17-10(14)9(19(20)21)11(15-2)18-12/h3-5H,1-2H3,(H4,14,15,16,17,18)