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

Systemtic Name: N2-[(2S)-butan-2-yl]-N4-(3-methylphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-[(1S)-1-methylpropyl]-N4-(m-tolyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-[(2S)-butan-2-yl]-N4-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-[(2S)-butan-2-yl]-4-N-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-[[(1S)-1-methylpropyl]amino]-5-nitro-pyrimidin-4-yl]-(m-tolyl)amine Formula: C15H20N6O2 MolecularWeight: 316.3583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N6O2/c1-4-10(3)17-15-19-13(16)12(21(22)23)14(20-15)18-11-7-5-6-9(2)8-11/h5-8,10H,4H2,1-3H3,(H4,16,17,18,19,20)/t10-/m0/s1