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

Systemtic Name: methyl 5-methyl-4-oxidanylidene-3-[(4-propoxycarbonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5S/c1-4-9-27-19(24)14-7-5-13(6-8-14)10-22-11-21-17-15(18(22)23)12(2)16(28-17)20(25)26-3/h5-8,11H,4,9-10H2,1-3H3