[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl] 3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl] 3-chloranyladamantane-1-carboxylate Openeye Name: [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [2-oxo-2-(2-pyrimidinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [2-keto-2-(2-pyrimidylamino)ethyl] ester Formula: C17H20ClN3O3 MolecularWeight: 349.812

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC(=O)NC4=NC=CC=N4

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC(=O)NC4=NC=CC=N4

InChI

InChI=1S/C17H20ClN3O3/c18-17-7-11-4-12(8-17)6-16(5-11,10-17)14(23)24-9-13(22)21-15-19-2-1-3-20-15/h1-3,11-12H,4-10H2,(H,19,20,21,22)