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

Systemtic Name: propan-2-yl 5-methyl-3-[4-(4-methylphenoxy)butyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 5-methyl-3-[4-(4-methylphenoxy)butyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[4-(4-methylphenoxy)butyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-methyl-3-[4-(4-methylphenoxy)butyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-[4-(4-methylphenoxy)butyl]thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-14(2)28-22(26)19-16(4)18-20(29-19)23-13-24(21(18)25)11-5-6-12-27-17-9-7-15(3)8-10-17/h7-10,13-14H,5-6,11-12H2,1-4H3