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

Systemtic Name: N-(2-carbamimidoyl-1,2-oxazinan-5-yl)-2-[6-methyl-2-oxidanylidene-3-(2-phenylbutylamino)pyrazin-1-yl]ethanamide Openeye Name: N-(2-carbamimidoyloxazinan-5-yl)-2-[6-methyl-2-oxo-3-(2-phenylbutylamino)pyrazin-1-yl]acetamide CAS Name: N-(2-carbamimidoyl-5-oxazinanyl)-2-[6-methyl-2-oxo-3-(2-phenylbutylamino)-1-pyrazinyl]acetamide IUPAC Name: N-(2-carbamimidoyloxazinan-5-yl)-2-[6-methyl-2-oxo-3-(2-phenylbutylamino)pyrazin-1-yl]acetamide Traditional Name: N-(2-amidinooxazinan-5-yl)-2-[2-keto-6-methyl-3-(2-phenylbutylamino)pyrazin-1-yl]acetamide Formula: C22H31N7O3 MolecularWeight: 441.52664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1=NC=C(N(C1=O)CC(=O)NC2CCN(OC2)C(=N)N)C)C3=CC=CC=C3

Isomeric SMILES

CCC(CNC1=NC=C(N(C1=O)CC(=O)NC2CCN(OC2)C(=N)N)C)C3=CC=CC=C3

InChI

InChI=1S/C22H31N7O3/c1-3-16(17-7-5-4-6-8-17)12-26-20-21(31)28(15(2)11-25-20)13-19(30)27-18-9-10-29(22(23)24)32-14-18/h4-8,11,16,18H,3,9-10,12-14H2,1-2H3,(H3,23,24)(H,25,26)(H,27,30)