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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-oxidanyladamantane-1-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC4=NC(=NC(=N4)NC5=CC=CC=C5)N

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC4=NC(=NC(=N4)NC5=CC=CC=C5)N

InChI

InChI=1S/C21H25N5O3/c22-18-24-16(25-19(26-18)23-15-4-2-1-3-5-15)11-29-17(27)20-7-13-6-14(8-20)10-21(28,9-13)12-20/h1-5,13-14,28H,6-12H2,(H3,22,23,24,25,26)