N-(2-carbamimidoyl-1,2-oxazinan-5-yl)-2-[3-chloranyl-2-methyl-6-oxidanylidene-5-(phenethylamino)pyrazin-1-yl]ethanamide

Systemtic Name: N-(2-carbamimidoyl-1,2-oxazinan-5-yl)-2-[3-chloranyl-2-methyl-6-oxidanylidene-5-(phenethylamino)pyrazin-1-yl]ethanamide Openeye Name: N-(2-carbamimidoyloxazinan-5-yl)-2-[3-chloro-2-methyl-6-oxo-5-(phenethylamino)pyrazin-1-yl]acetamide CAS Name: N-(2-carbamimidoyl-5-oxazinanyl)-2-[3-chloro-2-methyl-6-oxo-5-(phenethylamino)-1-pyrazinyl]acetamide IUPAC Name: N-(2-carbamimidoyloxazinan-5-yl)-2-[3-chloro-2-methyl-6-oxo-5-(phenethylamino)pyrazin-1-yl]acetamide Traditional Name: N-(2-amidinooxazinan-5-yl)-2-[5-chloro-2-keto-6-methyl-3-(phenethylamino)pyrazin-1-yl]acetamide Formula: C20H26ClN7O3 MolecularWeight: 447.91854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=O)N1CC(=O)NC2CCN(OC2)C(=N)N)NCCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(N=C(C(=O)N1CC(=O)NC2CCN(OC2)C(=N)N)NCCC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H26ClN7O3/c1-13-17(21)26-18(24-9-7-14-5-3-2-4-6-14)19(30)27(13)11-16(29)25-15-8-10-28(20(22)23)31-12-15/h2-6,15H,7-12H2,1H3,(H3,22,23)(H,24,26)(H,25,29)