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

Systemtic Name: methyl 1-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H18N6O4S MolecularWeight: 414.43832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6O4S/c1-28-17(25)11-6-8-23(9-7-11)16-14(24(26)27)15(19-10-20-16)22-18-21-12-4-2-3-5-13(12)29-18/h2-5,10-11H,6-9H2,1H3,(H,19,20,21,22)