cyclohexyl 3-[2,3-bis(oxidanyl)propyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: cyclohexyl 3-[2,3-bis(oxidanyl)propyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 3-(2,3-dihydroxypropyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-(2,3-dihydroxypropyl)-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 3-(2,3-dihydroxypropyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-glyceryl-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(CO)O)C(=O)OC3CCCCC3

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(CO)O)C(=O)OC3CCCCC3

InChI

InChI=1S/C17H22N2O5S/c1-10-13-15(18-9-19(16(13)22)7-11(21)8-20)25-14(10)17(23)24-12-5-3-2-4-6-12/h9,11-12,20-21H,2-8H2,1H3