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

Systemtic Name: N2-[(2S)-butan-2-yl]-5-nitro-6-piperidin-1-yl-pyrimidine-2,4-diamine Openeye Name: N2-[(1S)-1-methylpropyl]-5-nitro-6-(1-piperidyl)pyrimidine-2,4-diamine CAS Name: N2-[(2S)-butan-2-yl]-5-nitro-6-(1-piperidinyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-[(2S)-butan-2-yl]-5-nitro-6-piperidin-1-ylpyrimidine-2,4-diamine Traditional Name: (4-amino-5-nitro-6-piperidino-pyrimidin-2-yl)-[(1S)-1-methylpropyl]amine Formula: C13H22N6O2 MolecularWeight: 294.35278

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCC2

Isomeric SMILES

CC[C@H](C)NC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCC2

InChI

InChI=1S/C13H22N6O2/c1-3-9(2)15-13-16-11(14)10(19(20)21)12(17-13)18-7-5-4-6-8-18/h9H,3-8H2,1-2H3,(H3,14,15,16,17)/t9-/m0/s1