ethyl 4-(diethylamino)-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-(diethylamino)-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(diethylamino)-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(diethylamino)-5-methyl-2-[(phenylthio)methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(diethylamino)-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(diethylamino)-5-methyl-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C2C(=C(SC2=NC(=N1)CSC3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCN(CC)C1=C2C(=C(SC2=NC(=N1)CSC3=CC=CC=C3)C(=O)OCC)C

InChI

InChI=1S/C21H25N3O2S2/c1-5-24(6-2)19-17-14(4)18(21(25)26-7-3)28-20(17)23-16(22-19)13-27-15-11-9-8-10-12-15/h8-12H,5-7,13H2,1-4H3