2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-phenyl]-5-methyl-7-propyl-4a,5,6,7-tetrahydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one

Systemtic Name: 2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-phenyl]-5-methyl-7-propyl-4a,5,6,7-tetrahydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one Openeye Name: 2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-phenyl]-5-methyl-7-propyl-4a,5,6,7-tetrahydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one CAS Name: 2-[2-ethoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]-5-methyl-7-propyl-4a,5,6,7-tetrahydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one IUPAC Name: 2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-methyl-7-propyl-4a,5,6,7-tetrahydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one Traditional Name: 2-[2-ethoxy-5-(4-ethylpiperazino)sulfonyl-phenyl]-5-methyl-7-propyl-4a,5,6,7-tetrahydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one Formula: C23H36N6O4S MolecularWeight: 492.63474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1NC(C2N1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C

Isomeric SMILES

CCCC1NC(C2N1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C

InChI

InChI=1S/C23H36N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15-16,20-21,24H,5-8,11-14H2,1-4H3,(H,25,26,30)