ethyl 5-(2-chloranylethanoylamino)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-(2-chloranylethanoylamino)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-[(2-chloroacetyl)amino]-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-[(2-chloro-1-oxoethyl)amino]-2-(methylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-chloroacetyl)amino]-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-[(2-chloroacetyl)amino]-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C12H12ClN3O3S2 MolecularWeight: 345.82498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CN=C(N=C2S1)SC)NC(=O)CCl

Isomeric SMILES

CCOC(=O)C1=C(C2=CN=C(N=C2S1)SC)NC(=O)CCl

InChI

InChI=1S/C12H12ClN3O3S2/c1-3-19-11(18)9-8(15-7(17)4-13)6-5-14-12(20-2)16-10(6)21-9/h5H,3-4H2,1-2H3,(H,15,17)