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

Systemtic Name: 2-phenoxyethyl 5-methyl-3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-phenoxyethyl 5-methyl-4-oxo-3-[2-oxo-2-(p-tolyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(p-tolyl)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-phenoxyethyl ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCCOC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCCOC4=CC=CC=C4)C

InChI

InChI=1S/C25H22N2O5S/c1-16-8-10-18(11-9-16)20(28)14-27-15-26-23-21(24(27)29)17(2)22(33-23)25(30)32-13-12-31-19-6-4-3-5-7-19/h3-11,15H,12-14H2,1-2H3