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

Systemtic Name: [(1S)-1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] adamantane-1-carboxylate Openeye Name: [(1S)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [(1S)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] ester IUPAC Name: [(1S)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [(1S)-1-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-10-12(3)27-19-16(10)18(24)22-17(23-19)11(2)26-20(25)21-7-13-4-14(8-21)6-15(5-13)9-21/h11,13-15H,4-9H2,1-3H3,(H,22,23,24)/t11-,13?,14?,15?,21?/m0/s1