[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 1-butyl-6-oxo-pyridazine-3-carboxylate CAS Name: 1-butyl-6-oxo-3-pyridazinecarboxylic 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 1-butyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-butyl-6-keto-pyridazine-3-carboxylic acid [4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl ester Formula: C20H23N7O3 MolecularWeight: 409.44172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C=CC(=N1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)C)N

Isomeric SMILES

CCCCN1C(=O)C=CC(=N1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)C)N

InChI

InChI=1S/C20H23N7O3/c1-3-4-11-27-17(28)10-9-15(26-27)18(29)30-12-16-23-19(21)25-20(24-16)22-14-7-5-13(2)6-8-14/h5-10H,3-4,11-12H2,1-2H3,(H3,21,22,23,24,25)