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

Systemtic Name: ethyl 5-(2-chloranylethanoylamino)-4-(methylamino)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-[(2-chloroacetyl)amino]-4-(methylamino)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-[(2-chloro-1-oxoethyl)amino]-4-(methylamino)-2-(methylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-chloroacetyl)amino]-4-(methylamino)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-[(2-chloroacetyl)amino]-4-(methylamino)-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C13H15ClN4O3S2 MolecularWeight: 374.8662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN4O3S2/c1-4-21-12(20)9-8(16-6(19)5-14)7-10(15-2)17-13(22-3)18-11(7)23-9/h4-5H2,1-3H3,(H,16,19)(H,15,17,18)