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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 1-butyl-5-chloro-3-methyl-4-pyrazolecarboxylic 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 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C19H22ClN7O2 MolecularWeight: 415.87668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN7O2/c1-3-4-10-27-16(20)15(12(2)26-27)17(28)29-11-14-23-18(21)25-19(24-14)22-13-8-6-5-7-9-13/h5-9H,3-4,10-11H2,1-2H3,(H3,21,22,23,24,25)