N7-butyl-N2-(5-chloranyl-2-methyl-phenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine

Systemtic Name: N7-butyl-N2-(5-chloranyl-2-methyl-phenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine Openeye Name: N7-butyl-N2-(5-chloro-2-methyl-phenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine CAS Name: N7-butyl-N2-(5-chloro-2-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine IUPAC Name: 7-N-butyl-2-N-(5-chloro-2-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine Traditional Name: butyl-[2-(5-chloro-2-methyl-anilino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amine Formula: C17H21ClN6 MolecularWeight: 344.84184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC(=NC2=NC(=NN12)NC3=C(C=CC(=C3)Cl)C)C

Isomeric SMILES

CCCCNC1=CC(=NC2=NC(=NN12)NC3=C(C=CC(=C3)Cl)C)C

InChI

InChI=1S/C17H21ClN6/c1-4-5-8-19-15-9-12(3)20-17-22-16(23-24(15)17)21-14-10-13(18)7-6-11(14)2/h6-7,9-10,19H,4-5,8H2,1-3H3,(H,21,23)