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

Systemtic Name: ethyl 1-[5-nitro-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C15H18N6O4S MolecularWeight: 378.40622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N6O4S/c1-2-25-14(22)10-3-6-20(7-4-10)13-11(21(23)24)12(17-9-18-13)19-15-16-5-8-26-15/h5,8-10H,2-4,6-7H2,1H3,(H,16,17,18,19)