ethyl 2-(1,3-benzothiazol-2-ylamino)-4-(chloromethyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(1,3-benzothiazol-2-ylamino)-4-(chloromethyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(1,3-benzothiazol-2-ylamino)-4-(chloromethyl)pyrimidine-5-carboxylate CAS Name: 2-(1,3-benzothiazol-2-ylamino)-4-(chloromethyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzothiazol-2-ylamino)-4-(chloromethyl)pyrimidine-5-carboxylate Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-4-(chloromethyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C15H13ClN4O2S MolecularWeight: 348.80732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1CCl)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1CCl)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C15H13ClN4O2S/c1-2-22-13(21)9-8-17-14(18-11(9)7-16)20-15-19-10-5-3-4-6-12(10)23-15/h3-6,8H,2,7H2,1H3,(H,17,18,19,20)