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

Systemtic Name: ethyl 5-(2-chloranylethanoylamino)-2-methylsulfanyl-4-(propylamino)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-[(2-chloroacetyl)amino]-2-methylsulfanyl-4-(propylamino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-[(2-chloro-1-oxoethyl)amino]-2-(methylthio)-4-(propylamino)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-chloroacetyl)amino]-2-methylsulfanyl-4-(propylamino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-[(2-chloroacetyl)amino]-2-(methylthio)-4-(propylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C15H19ClN4O3S2 MolecularWeight: 402.91936

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C2C(=C(SC2=NC(=N1)SC)C(=O)OCC)NC(=O)CCl

Isomeric SMILES

CCCNC1=C2C(=C(SC2=NC(=N1)SC)C(=O)OCC)NC(=O)CCl

InChI

InChI=1S/C15H19ClN4O3S2/c1-4-6-17-12-9-10(18-8(21)7-16)11(14(22)23-5-2)25-13(9)20-15(19-12)24-3/h4-7H2,1-3H3,(H,18,21)(H,17,19,20)