4-[[2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[4-oxo-2-(p-tolylmethylsulfanyl)thieno[3,2-d]pyrimidin-3-yl]methyl]cyclohexanecarboxylate CAS Name: 4-[[2-[(4-methylphenyl)methylthio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[2-[(4-methylphenyl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[4-keto-2-[(4-methylbenzyl)thio]thieno[3,2-d]pyrimidin-3-yl]methyl]cyclohexanecarboxylate Formula: C22H23N2O3S2- MolecularWeight: 427.55962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2CC4CCC(CC4)C(=O)[O-])SC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2CC4CCC(CC4)C(=O)[O-])SC=C3

InChI

InChI=1S/C22H24N2O3S2/c1-14-2-4-16(5-3-14)13-29-22-23-18-10-11-28-19(18)20(25)24(22)12-15-6-8-17(9-7-15)21(26)27/h2-5,10-11,15,17H,6-9,12-13H2,1H3,(H,26,27)/p-1