(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC4=NC(=O)C5=C(N4)C=CS5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)OCC4=NC(=O)C5=C(N4)C=CS5

InChI

InChI=1S/C18H20N2O4S/c21-15-14-12(1-2-25-14)19-13(20-15)8-24-16(22)17-4-10-3-11(5-17)7-18(23,6-10)9-17/h1-2,10-11,23H,3-9H2,(H,19,20,21)/t10-,11+,17?,18?