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

Systemtic Name: phenethyl 5-methyl-4-oxidanylidene-3-[(3-propan-2-yloxycarbonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 3-[(3-isopropoxycarbonylphenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-[[3-[oxo(propan-2-yloxy)methyl]phenyl]methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-4-oxo-3-[(3-propan-2-yloxycarbonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(3-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=CC(=C3)C(=O)OC(C)C)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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