ethyl 2-(1,3-benzothiazol-2-ylamino)-4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(1,3-benzothiazol-2-ylamino)-4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidine-5-carboxylate Openeye Name: ethyl 2-(1,3-benzothiazol-2-ylamino)-4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidine-5-carboxylate CAS Name: 2-(1,3-benzothiazol-2-ylamino)-4-[[(4-methyl-2-pyrimidinyl)thio]methyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzothiazol-2-ylamino)-4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrimidine-5-carboxylate Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-4-[[(4-methylpyrimidin-2-yl)thio]methyl]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H18N6O2S2 MolecularWeight: 438.52592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N6O2S2/c1-3-28-17(27)13-10-22-18(26-20-25-14-6-4-5-7-16(14)30-20)24-15(13)11-29-19-21-9-8-12(2)23-19/h4-10H,3,11H2,1-2H3,(H,22,24,25,26)