[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-oxidanyladamantane-1-carboxylate

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-oxidanyladamantane-1-carboxylate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C17H25N5O3 MolecularWeight: 347.4121

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)COC(=O)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)COC(=O)C23CC4CC(C2)CC(C4)(C3)O

InChI

InChI=1S/C17H25N5O3/c1-22(2)15-20-12(19-14(18)21-15)8-25-13(23)16-4-10-3-11(5-16)7-17(24,6-10)9-16/h10-11,24H,3-9H2,1-2H3,(H2,18,19,20,21)