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

Systemtic Name: ethyl 2-(1,3-benzothiazol-2-ylamino)-4-(pyrimidin-2-ylsulfanylmethyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(1,3-benzothiazol-2-ylamino)-4-(pyrimidin-2-ylsulfanylmethyl)pyrimidine-5-carboxylate CAS Name: 2-(1,3-benzothiazol-2-ylamino)-4-[(2-pyrimidinylthio)methyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzothiazol-2-ylamino)-4-(pyrimidin-2-ylsulfanylmethyl)pyrimidine-5-carboxylate Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-4-[(2-pyrimidylthio)methyl]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H16N6O2S2 MolecularWeight: 424.49934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1CSC2=NC=CC=N2)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1CSC2=NC=CC=N2)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H16N6O2S2/c1-2-27-16(26)12-10-22-17(23-14(12)11-28-18-20-8-5-9-21-18)25-19-24-13-6-3-4-7-15(13)29-19/h3-10H,2,11H2,1H3,(H,22,23,24,25)