phenethyl 5-methyl-4-oxidanylidene-3-(3-oxidanylidenebutan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: phenethyl 5-methyl-4-oxidanylidene-3-(3-oxidanylidenebutan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 5-methyl-3-(1-methyl-2-oxo-propyl)-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-(3-oxobutan-2-yl)-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-4-oxo-3-(3-oxobutan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-(2-keto-1-methyl-propyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)C(C)C(=O)C)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)C(C)C(=O)C)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O4S/c1-12-16-18(21-11-22(19(16)24)13(2)14(3)23)27-17(12)20(25)26-10-9-15-7-5-4-6-8-15/h4-8,11,13H,9-10H2,1-3H3