8-bromanyl-N-(phenylmethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-amine

Systemtic Name: 8-bromanyl-N-(phenylmethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-amine Openeye Name: N-benzyl-8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-amine CAS Name: 8-bromo-N-(phenylmethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-amine IUPAC Name: N-benzyl-8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-amine Traditional Name: benzyl-(8-bromo-5H-[1,2,4]triazin[5,6-b]indol-3-yl)amine Formula: C16H12BrN5 MolecularWeight: 354.20398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC3=C(C4=C(N3)C=CC(=C4)Br)N=N2

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC3=C(C4=C(N3)C=CC(=C4)Br)N=N2

InChI

InChI=1S/C16H12BrN5/c17-11-6-7-13-12(8-11)14-15(19-13)20-16(22-21-14)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,18,19,20,22)