2-(1-adamantylmethylamino)pyrimidine-5-carboxylic acid

Systemtic Name: 2-(1-adamantylmethylamino)pyrimidine-5-carboxylic acid Openeye Name: 2-(1-adamantylmethylamino)pyrimidine-5-carboxylic acid CAS Name: 2-(1-adamantylmethylamino)-5-pyrimidinecarboxylic acid IUPAC Name: 2-(1-adamantylmethylamino)pyrimidine-5-carboxylic acid Traditional Name: 2-(1-adamantylmethylamino)pyrimidine-5-carboxylic acid Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC4=NC=C(C=N4)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC4=NC=C(C=N4)C(=O)O

InChI

InChI=1S/C16H21N3O2/c20-14(21)13-7-17-15(18-8-13)19-9-16-4-10-1-11(5-16)3-12(2-10)6-16/h7-8,10-12H,1-6,9H2,(H,20,21)(H,17,18,19)