6-(isoquinolin-4-ylmethyl)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-2H-1,2,4-triazin-5-one

Systemtic Name: 6-(isoquinolin-4-ylmethyl)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-2H-1,2,4-triazin-5-one Openeye Name: 6-(4-isoquinolylmethyl)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-2H-1,2,4-triazin-5-one CAS Name: 6-(4-isoquinolinylmethyl)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-2H-1,2,4-triazin-5-one IUPAC Name: 6-(isoquinolin-4-ylmethyl)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-2H-1,2,4-triazin-5-one Traditional Name: 6-(4-isoquinolylmethyl)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-2H-1,2,4-triazin-5-one Formula: C20H21N7OS MolecularWeight: 407.49204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC2=NC(=O)C(=NN2)CC3=CN=CC4=CC=CC=C43

Isomeric SMILES

CC1=C(N=CN1)CSCCNC2=NC(=O)C(=NN2)CC3=CN=CC4=CC=CC=C43

InChI

InChI=1S/C20H21N7OS/c1-13-18(24-12-23-13)11-29-7-6-22-20-25-19(28)17(26-27-20)8-15-10-21-9-14-4-2-3-5-16(14)15/h2-5,9-10,12H,6-8,11H2,1H3,(H,23,24)(H2,22,25,27,28)