(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl adamantane-1-carboxylate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl adamantane-1-carboxylate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl adamantane-1-carboxylate CAS Name: 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 adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCC4=NC(=O)C5=C(N4)C=CS5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCC4=NC(=O)C5=C(N4)C=CS5

InChI

InChI=1S/C18H20N2O3S/c21-16-15-13(1-2-24-15)19-14(20-16)9-23-17(22)18-6-10-3-11(7-18)5-12(4-10)8-18/h1-2,10-12H,3-9H2,(H,19,20,21)