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

Systemtic Name: ethyl 1-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[(4,5-dimethylthiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(4,5-dimethyl-2-thiazolyl)amino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[(4,5-dimethylthiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C17H22N6O4S MolecularWeight: 406.45938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=NC(=C(S3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=NC(=C(S3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O4S/c1-4-27-16(24)12-5-7-22(8-6-12)15-13(23(25)26)14(18-9-19-15)21-17-20-10(2)11(3)28-17/h9,12H,4-8H2,1-3H3,(H,18,19,20,21)