(5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-bromanyladamantane-1-carboxylate

Systemtic Name: (5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-bromanyladamantane-1-carboxylate Openeye Name: (5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid (5-oxo-7-thiazolo[3,2-a]pyrimidinyl)methyl ester IUPAC Name: (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid (5-ketothiazolo[3,2-a]pyrimidin-7-yl)methyl ester Formula: C18H19BrN2O3S MolecularWeight: 423.32406

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC4=CC(=O)N5C=CSC5=N4

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC4=CC(=O)N5C=CSC5=N4

InChI

InChI=1S/C18H19BrN2O3S/c19-18-7-11-3-12(8-18)6-17(5-11,10-18)15(23)24-9-13-4-14(22)21-1-2-25-16(21)20-13/h1-2,4,11-12H,3,5-10H2