[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate Openeye Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 6-morpholinopyridine-3-carboxylate CAS Name: 6-(4-morpholinyl)-3-pyridinecarboxylic acid [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate Traditional Name: 6-morpholinonicotinic acid [4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl ester Formula: C21H23N7O3 MolecularWeight: 421.45242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CN=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CN=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H23N7O3/c1-14-2-5-16(6-3-14)24-21-26-17(25-20(22)27-21)13-31-19(29)15-4-7-18(23-12-15)28-8-10-30-11-9-28/h2-7,12H,8-11,13H2,1H3,(H3,22,24,25,26,27)