1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 3-oxidanyladamantane-1-carboxylate

Systemtic Name: 1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 3-oxidanyladamantane-1-carboxylate Openeye Name: 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester IUPAC Name: 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid 1-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(C)OC(=O)C34CC5CC(C3)CC(C5)(C4)O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C(C)OC(=O)C34CC5CC(C3)CC(C5)(C4)O)C

InChI

InChI=1S/C21H26N2O4S/c1-10-12(3)28-18-15(10)17(24)22-16(23-18)11(2)27-19(25)20-5-13-4-14(6-20)8-21(26,7-13)9-20/h11,13-14,26H,4-9H2,1-3H3,(H,22,23,24)