N2-[(2S)-butan-2-yl]-6-[(3S)-3-methylpiperidin-1-yl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-[(2S)-butan-2-yl]-6-[(3S)-3-methylpiperidin-1-yl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-[(3S)-3-methyl-1-piperidyl]-N2-[(1S)-1-methylpropyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-[(2S)-butan-2-yl]-6-[(3S)-3-methyl-1-piperidinyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-[(2S)-butan-2-yl]-6-[(3S)-3-methylpiperidin-1-yl]-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-[(3S)-3-methylpiperidino]-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-])N2CCCC(C2)C

Isomeric SMILES

CC[C@H](C)NC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCC[C@@H](C2)C

InChI

InChI=1S/C14H24N6O2/c1-4-10(3)16-14-17-12(15)11(20(21)22)13(18-14)19-7-5-6-9(2)8-19/h9-10H,4-8H2,1-3H3,(H3,15,16,17,18)/t9-,10-/m0/s1