ethyl 2-butylsulfanyl-5-methyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-butylsulfanyl-5-methyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-butylsulfanyl-5-methyl-4-oxo-3-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-(butylthio)-5-methyl-4-oxo-3-phenyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butylsulfanyl-5-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(butylthio)-4-keto-5-methyl-3-phenyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)N1C3=CC=CC=C3

Isomeric SMILES

CCCCSC1=NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)N1C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3S2/c1-4-6-12-26-20-21-17-15(13(3)16(27-17)19(24)25-5-2)18(23)22(20)14-10-8-7-9-11-14/h7-11H,4-6,12H2,1-3H3