4-[(6-cyclohexyloxycarbonyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate

Systemtic Name: 4-[(6-cyclohexyloxycarbonyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Openeye Name: 4-[[6-(cyclohexoxycarbonyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate CAS Name: 4-[[6-[cyclohexyloxy(oxo)methyl]-5-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzoate IUPAC Name: 4-[(6-cyclohexyloxycarbonyl-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Traditional Name: 4-[[6-(cyclohexoxycarbonyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Formula: C22H21N2O5S- MolecularWeight: 425.47754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=C(C=C3)C(=O)[O-])C(=O)OC4CCCCC4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=C(C=C3)C(=O)[O-])C(=O)OC4CCCCC4

InChI

InChI=1S/C22H22N2O5S/c1-13-17-19(30-18(13)22(28)29-16-5-3-2-4-6-16)23-12-24(20(17)25)11-14-7-9-15(10-8-14)21(26)27/h7-10,12,16H,2-6,11H2,1H3,(H,26,27)/p-1