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

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-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-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C18H19ClN2O3S MolecularWeight: 378.87306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O3S/c19-18-6-10-3-11(7-18)5-17(4-10,9-18)16(23)24-8-13-20-12-1-2-25-14(12)15(22)21-13/h1-2,10-11H,3-9H2,(H,20,21,22)/t10-,11+,17?,18?