Molecule ID: 5731061

IUPAC Name: 3-(2-methylprop-2-enylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole

Description: The molecule is a triazinoindole that is 5H-[1,2,4]triazino[5,6-b]indole which is substituted at position 3 by a (2-methylprop-2-en-1-yl)thio group. A potent inhibitor of midasin which is an essential protein for eukaryotic ribosome biogenesis. It is a triazinoindole and an organic sulfide.

SMILES: C=C(C)CSc1nnc2c(n1)[nH]c1ccccc12

SELFIES: [C][=C][Branch1][C][C][C][S][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2]

InChI: InChI=1S/C13H12N4S/c1-8(2)7-18-13-15-12-11(16-17-13)9-5-3-4-6-10(9)14-12/h3-6H,1,7H2,2H3,(H,14,15,17)

Molecular Properties:
- Polar Surface Area: 79.8 Ų
- LogP: 3.2