cyclohexyl 5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: cyclohexyl 5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 5-methyl-4-oxo-3-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-[2-oxo-2-[2-(phenylthio)anilino]ethyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 5-methyl-4-oxo-3-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-2-[2-(phenylthio)anilino]ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C28H27N3O4S2 MolecularWeight: 533.66168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC=CC=C3SC4=CC=CC=C4)C(=O)OC5CCCCC5

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC=CC=C3SC4=CC=CC=C4)C(=O)OC5CCCCC5

InChI

InChI=1S/C28H27N3O4S2/c1-18-24-26(37-25(18)28(34)35-19-10-4-2-5-11-19)29-17-31(27(24)33)16-23(32)30-21-14-8-9-15-22(21)36-20-12-6-3-7-13-20/h3,6-9,12-15,17,19H,2,4-5,10-11,16H2,1H3,(H,30,32)