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

Systemtic Name: phenethyl 5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 3-[2-(4-isopropylanilino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(2-cumidino-2-keto-ethyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC=C(C=C3)C(C)C)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC=C(C=C3)C(C)C)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O4S/c1-17(2)20-9-11-21(12-10-20)29-22(31)15-30-16-28-25-23(26(30)32)18(3)24(35-25)27(33)34-14-13-19-7-5-4-6-8-19/h4-12,16-17H,13-15H2,1-3H3,(H,29,31)