5-chloranyl-7-(1,4-diazepan-1-yl)-6-[2,3,6-tris(fluoranyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine

Systemtic Name: 5-chloranyl-7-(1,4-diazepan-1-yl)-6-[2,3,6-tris(fluoranyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine Openeye Name: 5-chloro-7-(1,4-diazepan-1-yl)-6-(2,3,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine CAS Name: 5-chloro-7-(1,4-diazepan-1-yl)-6-(2,3,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine IUPAC Name: 5-chloro-7-(1,4-diazepan-1-yl)-6-(2,3,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine Traditional Name: 5-chloro-7-(1,4-diazepan-1-yl)-6-(2,3,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine Formula: C16H14ClF3N6 MolecularWeight: 382.77077

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=C(C(=NC3=NC=NN23)Cl)C4=C(C=CC(=C4F)F)F

Isomeric SMILES

C1CNCCN(C1)C2=C(C(=NC3=NC=NN23)Cl)C4=C(C=CC(=C4F)F)F

InChI

InChI=1S/C16H14ClF3N6/c17-14-12(11-9(18)2-3-10(19)13(11)20)15(25-6-1-4-21-5-7-25)26-16(24-14)22-8-23-26/h2-3,8,21H,1,4-7H2