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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCC(CC4)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCC(CC4)C(=O)OC

InChI

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