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

Systemtic Name: ethyl 2-butylsulfanyl-5-methyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-allyl-2-butylsulfanyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-(butylthio)-5-methyl-4-oxo-3-prop-2-enyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butylsulfanyl-5-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-allyl-2-(butylthio)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H22N2O3S2 MolecularWeight: 366.49818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)N1CC=C

Isomeric SMILES

CCCCSC1=NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)N1CC=C

InChI

InChI=1S/C17H22N2O3S2/c1-5-8-10-23-17-18-14-12(15(20)19(17)9-6-2)11(4)13(24-14)16(21)22-7-3/h6H,2,5,7-10H2,1,3-4H3