N-[(6-azanyl-2-methyl-pyridin-3-yl)methyl]-2-[6-methylsulfanyl-2-oxidanylidene-3-(phenethylamino)pyrazin-1-yl]ethanamide

Systemtic Name: N-[(6-azanyl-2-methyl-pyridin-3-yl)methyl]-2-[6-methylsulfanyl-2-oxidanylidene-3-(phenethylamino)pyrazin-1-yl]ethanamide Openeye Name: N-[(6-amino-2-methyl-3-pyridyl)methyl]-2-[6-methylsulfanyl-2-oxo-3-(phenethylamino)pyrazin-1-yl]acetamide CAS Name: N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-(methylthio)-2-oxo-3-(phenethylamino)-1-pyrazinyl]acetamide IUPAC Name: N-[(6-amino-2-methylpyridin-3-yl)methyl]-2-[6-methylsulfanyl-2-oxo-3-(phenethylamino)pyrazin-1-yl]acetamide Traditional Name: N-[(6-amino-2-methyl-3-pyridyl)methyl]-2-[2-keto-6-(methylthio)-3-(phenethylamino)pyrazin-1-yl]acetamide Formula: C22H26N6O2S MolecularWeight: 438.54584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)N)CNC(=O)CN2C(=CN=C(C2=O)NCCC3=CC=CC=C3)SC

Isomeric SMILES

CC1=C(C=CC(=N1)N)CNC(=O)CN2C(=CN=C(C2=O)NCCC3=CC=CC=C3)SC

InChI

InChI=1S/C22H26N6O2S/c1-15-17(8-9-18(23)27-15)12-25-19(29)14-28-20(31-2)13-26-21(22(28)30)24-11-10-16-6-4-3-5-7-16/h3-9,13H,10-12,14H2,1-2H3,(H2,23,27)(H,24,26)(H,25,29)