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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCCN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCCCN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCC4=CC=CC=C4)C

InChI

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