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

Systemtic Name: ethyl 1-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(1,3-benzothiazol-2-ylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C19H20N6O4S MolecularWeight: 428.4649

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O4S/c1-2-29-18(26)12-7-9-24(10-8-12)17-15(25(27)28)16(20-11-21-17)23-19-22-13-5-3-4-6-14(13)30-19/h3-6,11-12H,2,7-10H2,1H3,(H,20,21,22,23)