ethyl 2-(1,3-benzothiazol-2-ylamino)-4,6-dimethyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(1,3-benzothiazol-2-ylamino)-4,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-(1,3-benzothiazol-2-ylamino)-4,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 2-(1,3-benzothiazol-2-ylamino)-4,6-dimethyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzothiazol-2-ylamino)-4,6-dimethylpyrimidine-5-carboxylate Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-4,6-dimethyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H16N4O2S MolecularWeight: 328.38884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C)NC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C)NC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C16H16N4O2S/c1-4-22-14(21)13-9(2)17-15(18-10(13)3)20-16-19-11-7-5-6-8-12(11)23-16/h5-8H,4H2,1-3H3,(H,17,18,19,20)