6-(azepan-1-yl)-N2-[(2S)-butan-2-yl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: 6-(azepan-1-yl)-N2-[(2S)-butan-2-yl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(azepan-1-yl)-N2-[(1S)-1-methylpropyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(1-azepanyl)-N2-[(2S)-butan-2-yl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-(azepan-1-yl)-2-N-[(2S)-butan-2-yl]-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(azepan-1-yl)-5-nitro-pyrimidin-2-yl]-[(1S)-1-methylpropyl]amine Formula: C14H24N6O2 MolecularWeight: 308.37936

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCCC2

Isomeric SMILES

CC[C@H](C)NC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCCC2

InChI

InChI=1S/C14H24N6O2/c1-3-10(2)16-14-17-12(15)11(20(21)22)13(18-14)19-8-6-4-5-7-9-19/h10H,3-9H2,1-2H3,(H3,15,16,17,18)/t10-/m0/s1