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

Systemtic Name: ethyl 4-(butylamino)-5-(2-chloranylethanoylamino)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(butylamino)-5-[(2-chloroacetyl)amino]-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(butylamino)-5-[(2-chloro-1-oxoethyl)amino]-2-(methylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(butylamino)-5-[(2-chloroacetyl)amino]-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(butylamino)-5-[(2-chloroacetyl)amino]-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H21ClN4O3S2 MolecularWeight: 416.94594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C2C(=C(SC2=NC(=N1)SC)C(=O)OCC)NC(=O)CCl

Isomeric SMILES

CCCCNC1=C2C(=C(SC2=NC(=N1)SC)C(=O)OCC)NC(=O)CCl

InChI

InChI=1S/C16H21ClN4O3S2/c1-4-6-7-18-13-10-11(19-9(22)8-17)12(15(23)24-5-2)26-14(10)21-16(20-13)25-3/h4-8H2,1-3H3,(H,19,22)(H,18,20,21)