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

Systemtic Name: phenethyl 5-methyl-4-oxidanylidene-3-[(4-propan-2-ylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 3-[(4-isopropylphenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-[(4-propan-2-ylphenyl)methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-4-oxo-3-[(4-propan-2-ylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(4-isopropylbenzyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O3S/c1-17(2)21-11-9-20(10-12-21)15-28-16-27-24-22(25(28)29)18(3)23(32-24)26(30)31-14-13-19-7-5-4-6-8-19/h4-12,16-17H,13-15H2,1-3H3