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

Systemtic Name: propan-2-yl 5-methyl-3-[3-(4-methylphenoxy)propyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 5-methyl-3-[3-(4-methylphenoxy)propyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[3-(4-methylphenoxy)propyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-methyl-3-[3-(4-methylphenoxy)propyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-[3-(4-methylphenoxy)propyl]thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-13(2)27-21(25)18-15(4)17-19(28-18)22-12-23(20(17)24)10-5-11-26-16-8-6-14(3)7-9-16/h6-9,12-13H,5,10-11H2,1-4H3