ethyl 5-(2-chloranylethanoylamino)-2-methylsulfanyl-4-morpholin-4-yl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-(2-chloranylethanoylamino)-2-methylsulfanyl-4-morpholin-4-yl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-[(2-chloroacetyl)amino]-2-methylsulfanyl-4-morpholino-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-[(2-chloro-1-oxoethyl)amino]-2-(methylthio)-4-(4-morpholinyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-chloroacetyl)amino]-2-methylsulfanyl-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-[(2-chloroacetyl)amino]-2-(methylthio)-4-morpholino-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H19ClN4O4S2 MolecularWeight: 430.92946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)N3CCOCC3)NC(=O)CCl

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)N3CCOCC3)NC(=O)CCl

InChI

InChI=1S/C16H19ClN4O4S2/c1-3-25-15(23)12-11(18-9(22)8-17)10-13(21-4-6-24-7-5-21)19-16(26-2)20-14(10)27-12/h3-8H2,1-2H3,(H,18,22)