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

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-acetamidoadamantane-1-carboxylate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-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-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C19H28N6O3 MolecularWeight: 388.46402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=NC(=NC(=N4)N(C)C)N

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=NC(=NC(=N4)N(C)C)N

InChI

InChI=1S/C19H28N6O3/c1-11(26)24-19-7-12-4-13(8-19)6-18(5-12,10-19)15(27)28-9-14-21-16(20)23-17(22-14)25(2)3/h12-13H,4-10H2,1-3H3,(H,24,26)(H2,20,21,22,23)