methyl 1-[5-nitro-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[5-nitro-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[5-nitro-6-(thiazol-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-(2-thiazolylamino)-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-nitro-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-(thiazol-2-ylamino)pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C14H16N6O4S MolecularWeight: 364.37964

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=NC=CS3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=NC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C14H16N6O4S/c1-24-13(21)9-2-5-19(6-3-9)12-10(20(22)23)11(16-8-17-12)18-14-15-4-7-25-14/h4,7-9H,2-3,5-6H2,1H3,(H,15,16,17,18)