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

Systemtic Name: phenethyl 5-methyl-3-[4-(3-methylphenoxy)butyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C27H28N2O4S MolecularWeight: 476.58722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCCN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCCCN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCCC4=CC=CC=C4)C

InChI

InChI=1S/C27H28N2O4S/c1-19-9-8-12-22(17-19)32-15-7-6-14-29-18-28-25-23(26(29)30)20(2)24(34-25)27(31)33-16-13-21-10-4-3-5-11-21/h3-5,8-12,17-18H,6-7,13-16H2,1-2H3