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

Systemtic Name: phenethyl 5-methyl-4-oxidanylidene-3-[(4-propan-2-yloxycarbonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 3-[(4-isopropoxycarbonylphenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-[[4-[oxo(propan-2-yloxy)methyl]phenyl]methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-4-oxo-3-[(4-propan-2-yloxycarbonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(4-isopropoxycarbonylbenzyl)-4-keto-5-methyl-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:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=C(C=C3)C(=O)OC(C)C)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=C(C=C3)C(=O)OC(C)C)C(=O)OCCC4=CC=CC=C4

InChI

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