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

Systemtic Name: N4-(3,4-dimethylphenyl)-N2-(2-methylpropyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(3,4-dimethylphenyl)-N2-isobutyl-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(3,4-dimethylphenyl)-N2-(2-methylpropyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(3,4-dimethylphenyl)-2-N-(2-methylpropyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(3,4-dimethylanilino)-5-nitro-pyrimidin-2-yl]-isobutyl-amine Formula: C16H22N6O2 MolecularWeight: 330.38488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N6O2/c1-9(2)8-18-16-20-14(17)13(22(23)24)15(21-16)19-12-6-5-10(3)11(4)7-12/h5-7,9H,8H2,1-4H3,(H4,17,18,19,20,21)