ethyl 5-methyl-4-oxidanylidene-3-[(4-propoxycarbonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-3-[(4-propoxycarbonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-3-[(4-propoxycarbonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-[[4-[oxo(propoxy)methyl]phenyl]methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-3-[(4-propoxycarbonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-(4-propoxycarbonylbenzyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCC)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCC)C

InChI

InChI=1S/C21H22N2O5S/c1-4-10-28-20(25)15-8-6-14(7-9-15)11-23-12-22-18-16(19(23)24)13(3)17(29-18)21(26)27-5-2/h6-9,12H,4-5,10-11H2,1-3H3