5-chloranyl-6-methyl-1-(2-oxidanylidenepropyl)-3-(phenethylamino)pyrazin-2-one

Systemtic Name: 5-chloranyl-6-methyl-1-(2-oxidanylidenepropyl)-3-(phenethylamino)pyrazin-2-one Openeye Name: 1-acetonyl-5-chloro-6-methyl-3-(phenethylamino)pyrazin-2-one CAS Name: 5-chloro-6-methyl-1-(2-oxopropyl)-3-(phenethylamino)-2-pyrazinone IUPAC Name: 5-chloro-6-methyl-1-(2-oxopropyl)-3-(phenethylamino)pyrazin-2-one Traditional Name: 1-acetonyl-5-chloro-6-methyl-3-(phenethylamino)pyrazin-2-one Formula: C16H18ClN3O2 MolecularWeight: 319.78602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=O)N1CC(=O)C)NCCC2=CC=CC=C2)Cl

Isomeric SMILES

CC1=C(N=C(C(=O)N1CC(=O)C)NCCC2=CC=CC=C2)Cl

InChI

InChI=1S/C16H18ClN3O2/c1-11(21)10-20-12(2)14(17)19-15(16(20)22)18-9-8-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,18,19)