[4-azanyl-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]methyl adamantane-2-carboxylate

Systemtic Name: [4-azanyl-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]methyl adamantane-2-carboxylate Openeye Name: [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [4-amino-6-(o-anisidino)-s-triazin-2-yl]methyl ester Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H27N5O3/c1-29-17-5-3-2-4-16(17)24-22-26-18(25-21(23)27-22)11-30-20(28)19-14-7-12-6-13(9-14)10-15(19)8-12/h2-5,12-15,19H,6-11H2,1H3,(H3,23,24,25,26,27)