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

Systemtic Name: ethyl 1-[5-nitro-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-nitro-6-(thiazol-2-ylamino)pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[5-nitro-6-(2-thiazolylamino)-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[5-nitro-6-(thiazol-2-ylamino)pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C15H18N6O4S MolecularWeight: 378.40622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC3=NC=CS3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC3=NC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C15H18N6O4S/c1-2-25-14(22)10-4-3-6-20(8-10)13-11(21(23)24)12(17-9-18-13)19-15-16-5-7-26-15/h5,7,9-10H,2-4,6,8H2,1H3,(H,16,17,18,19)