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

Systemtic Name: N2-[(2S)-butan-2-yl]-N4-(3-chlorophenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(3-chlorophenyl)-N2-[(1S)-1-methylpropyl]-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-[(2S)-butan-2-yl]-N4-(3-chlorophenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-[(2S)-butan-2-yl]-4-N-(3-chlorophenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(3-chloroanilino)-5-nitro-pyrimidin-2-yl]-[(1S)-1-methylpropyl]amine Formula: C14H17ClN6O2 MolecularWeight: 336.77678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN6O2/c1-3-8(2)17-14-19-12(16)11(21(22)23)13(20-14)18-10-6-4-5-9(15)7-10/h4-8H,3H2,1-2H3,(H4,16,17,18,19,20)/t8-/m0/s1