ethyl (3S)-1-(6-azanyl-5-nitro-pyrimidin-4-yl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(6-azanyl-5-nitro-pyrimidin-4-yl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(6-amino-5-nitro-pyrimidin-4-yl)piperidine-3-carboxylate CAS Name: (3S)-1-(6-amino-5-nitro-4-pyrimidinyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(6-amino-5-nitropyrimidin-4-yl)piperidine-3-carboxylate Traditional Name: (3S)-1-(6-amino-5-nitro-pyrimidin-4-yl)nipecotic acid ethyl ester Formula: C12H17N5O4 MolecularWeight: 295.29448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O4/c1-2-21-12(18)8-4-3-5-16(6-8)11-9(17(19)20)10(13)14-7-15-11/h7-8H,2-6H2,1H3,(H2,13,14,15)/t8-/m0/s1