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

Systemtic Name: phenethyl 5-methyl-4-oxidanylidene-3-[(4-propoxycarbonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C27H26N2O5S MolecularWeight: 490.57074

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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)OCCC4=CC=CC=C4)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCCC4=CC=CC=C4)C

InChI

InChI=1S/C27H26N2O5S/c1-3-14-33-26(31)21-11-9-20(10-12-21)16-29-17-28-24-22(25(29)30)18(2)23(35-24)27(32)34-15-13-19-7-5-4-6-8-19/h4-12,17H,3,13-16H2,1-2H3