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

Systemtic Name: ethyl 5-(2-chloranylethanoylamino)-2-methylsulfanyl-4-phenylazanyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-anilino-5-[(2-chloroacetyl)amino]-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-anilino-5-[(2-chloro-1-oxoethyl)amino]-2-(methylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-anilino-5-[(2-chloroacetyl)amino]-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-anilino-5-[(2-chloroacetyl)amino]-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H17ClN4O3S2 MolecularWeight: 436.93558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)NC3=CC=CC=C3)NC(=O)CCl

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)NC3=CC=CC=C3)NC(=O)CCl

InChI

InChI=1S/C18H17ClN4O3S2/c1-3-26-17(25)14-13(21-11(24)9-19)12-15(20-10-7-5-4-6-8-10)22-18(27-2)23-16(12)28-14/h4-8H,3,9H2,1-2H3,(H,21,24)(H,20,22,23)