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

Systemtic Name: phenethyl 5-methyl-2-(2-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 5-methyl-2-(o-tolyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-(2-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-2-(2-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-(o-tolyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C23H20N2O3S MolecularWeight: 404.4815

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(C(=C(S3)C(=O)OCCC4=CC=CC=C4)C)C(=O)N2

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(C(=C(S3)C(=O)OCCC4=CC=CC=C4)C)C(=O)N2

InChI

InChI=1S/C23H20N2O3S/c1-14-8-6-7-11-17(14)20-24-21(26)18-15(2)19(29-22(18)25-20)23(27)28-13-12-16-9-4-3-5-10-16/h3-11H,12-13H2,1-2H3,(H,24,25,26)