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

Systemtic Name: ethyl 4-[5-nitro-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-nitro-6-(thiazol-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-nitro-6-(2-thiazolylamino)-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-nitro-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5-nitro-6-(thiazol-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C14H17N7O4S MolecularWeight: 379.39428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NC3=NC=CS3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NC3=NC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C14H17N7O4S/c1-2-25-14(22)20-6-4-19(5-7-20)12-10(21(23)24)11(16-9-17-12)18-13-15-3-8-26-13/h3,8-9H,2,4-7H2,1H3,(H,15,16,17,18)