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

Systemtic Name: phenethyl 5-methyl-3-[2-(4-methylphenoxy)ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 5-methyl-3-[2-(4-methylphenoxy)ethyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[2-(4-methylphenoxy)ethyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-3-[2-(4-methylphenoxy)ethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-[2-(4-methylphenoxy)ethyl]thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)OCCN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCCC4=CC=CC=C4)C

InChI

InChI=1S/C25H24N2O4S/c1-17-8-10-20(11-9-17)30-15-13-27-16-26-23-21(24(27)28)18(2)22(32-23)25(29)31-14-12-19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3