ethyl 5-methyl-2-methylsulfanyl-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-2-methylsulfanyl-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-benzyl-5-methyl-2-methylsulfanyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-(methylthio)-4-oxo-3-(phenylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-5-methyl-2-methylsulfanyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-benzyl-4-keto-5-methyl-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=CC=C3)SC)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=CC=C3)SC)C

InChI

InChI=1S/C18H18N2O3S2/c1-4-23-17(22)14-11(2)13-15(25-14)19-18(24-3)20(16(13)21)10-12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3