6-(azepan-1-yl)-2-[(3S)-3-methylpiperidin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(azepan-1-yl)-2-[(3S)-3-methylpiperidin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-2-[(3S)-3-methyl-1-piperidyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-2-[(3S)-3-methyl-1-piperidinyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-2-[(3S)-3-methylpiperidin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-2-[(3S)-3-methylpiperidino]-5-nitro-pyrimidin-4-yl]amine Formula: C16H26N6O2 MolecularWeight: 334.41664

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

C[C@H]1CCCN(C1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C16H26N6O2/c1-12-7-6-10-21(11-12)16-18-14(17)13(22(23)24)15(19-16)20-8-4-2-3-5-9-20/h12H,2-11H2,1H3,(H2,17,18,19)/t12-/m0/s1