6-chloranyl-N4-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 6-chloranyl-N4-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 6-chloro-N4-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 6-chloro-N4-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 6-chloro-4-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: (2-amino-6-chloro-pyrimidin-4-yl)-[4-(1,2,4-triazol-1-yl)benzyl]amine Formula: C13H12ClN7 MolecularWeight: 301.73428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=CC(=NC(=N2)N)Cl)N3C=NC=N3

Isomeric SMILES

C1=CC(=CC=C1CNC2=CC(=NC(=N2)N)Cl)N3C=NC=N3

InChI

InChI=1S/C13H12ClN7/c14-11-5-12(20-13(15)19-11)17-6-9-1-3-10(4-2-9)21-8-16-7-18-21/h1-5,7-8H,6H2,(H3,15,17,19,20)