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

Systemtic Name: 1-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-[(4,5-dimethylthiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-[(4,5-dimethyl-2-thiazolyl)amino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-[(4,5-dimethylthiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C15H18N6O4S MolecularWeight: 378.40622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)O)C

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)O)C

InChI

InChI=1S/C15H18N6O4S/c1-8-9(2)26-15(18-8)19-12-11(21(24)25)13(17-7-16-12)20-5-3-10(4-6-20)14(22)23/h7,10H,3-6H2,1-2H3,(H,22,23)(H,16,17,18,19)