N2-[(2S)-butan-2-yl]-N4-(3,4-dimethylphenyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N2-[(2S)-butan-2-yl]-N4-(3,4-dimethylphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(3,4-dimethylphenyl)-N2-[(1S)-1-methylpropyl]-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-[(2S)-butan-2-yl]-N4-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-[(2S)-butan-2-yl]-4-N-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(3,4-dimethylanilino)-5-nitro-pyrimidin-2-yl]-[(1S)-1-methylpropyl]amine Formula: C16H22N6O2 MolecularWeight: 330.38488

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC(=C(C(=N1)NC2=CC(=C(C=C2)C)C)[N+](=O)[O-])N

Isomeric SMILES

CC[C@H](C)NC1=NC(=C(C(=N1)NC2=CC(=C(C=C2)C)C)[N+](=O)[O-])N

InChI

InChI=1S/C16H22N6O2/c1-5-11(4)18-16-20-14(17)13(22(23)24)15(21-16)19-12-7-6-9(2)10(3)8-12/h6-8,11H,5H2,1-4H3,(H4,17,18,19,20,21)/t11-/m0/s1