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

Systemtic Name: (phenylmethyl) 5-methyl-3-[3-(3-methylphenoxy)propyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C25H24N2O4S MolecularWeight: 448.53406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCCN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCC4=CC=CC=C4)C

InChI

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