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

Systemtic Name: N-[(6-azanyl-2-methyl-pyridin-3-yl)methyl]-2-[2-oxidanylidene-3-(phenethylamino)-6-(phenylsulfanylmethyl)pyrazin-1-yl]ethanamide Openeye Name: N-[(6-amino-2-methyl-3-pyridyl)methyl]-2-[2-oxo-3-(phenethylamino)-6-(phenylsulfanylmethyl)pyrazin-1-yl]acetamide CAS Name: N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[2-oxo-3-(phenethylamino)-6-[(phenylthio)methyl]-1-pyrazinyl]acetamide IUPAC Name: N-[(6-amino-2-methylpyridin-3-yl)methyl]-2-[2-oxo-3-(phenethylamino)-6-(phenylsulfanylmethyl)pyrazin-1-yl]acetamide Traditional Name: N-[(6-amino-2-methyl-3-pyridyl)methyl]-2-[2-keto-3-(phenethylamino)-6-[(phenylthio)methyl]pyrazin-1-yl]acetamide Formula: C28H30N6O2S MolecularWeight: 514.6418

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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)CSC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=N1)N)CNC(=O)CN2C(=CN=C(C2=O)NCCC3=CC=CC=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C28H30N6O2S/c1-20-22(12-13-25(29)33-20)16-31-26(35)18-34-23(19-37-24-10-6-3-7-11-24)17-32-27(28(34)36)30-15-14-21-8-4-2-5-9-21/h2-13,17H,14-16,18-19H2,1H3,(H2,29,33)(H,30,32)(H,31,35)