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

Systemtic Name: phenethyl 5-methyl-3-[3-(3-methylphenoxy)propyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 5-methyl-3-[3-(3-methylphenoxy)propyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[3-(3-methylphenoxy)propyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-3-[3-(3-methylphenoxy)propyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-[3-(3-methylphenoxy)propyl]thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCCN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCCC4=CC=CC=C4)C

InChI

InChI=1S/C26H26N2O4S/c1-18-8-6-11-21(16-18)31-14-7-13-28-17-27-24-22(25(28)29)19(2)23(33-24)26(30)32-15-12-20-9-4-3-5-10-20/h3-6,8-11,16-17H,7,12-15H2,1-2H3