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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

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