ethyl 6-[5-[(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanylmethyl]-2-oxidanylidene-1,3-dihydroimidazol-4-yl]-6-oxidanylidene-hexanoate

Systemtic Name: ethyl 6-[5-[(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanylmethyl]-2-oxidanylidene-1,3-dihydroimidazol-4-yl]-6-oxidanylidene-hexanoate Openeye Name: ethyl 6-[5-[(6-amino-3,5-dicyano-2-pyridyl)sulfanylmethyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxo-hexanoate CAS Name: 6-[5-[[(6-amino-3,5-dicyano-2-pyridinyl)thio]methyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoic acid ethyl ester IUPAC Name: ethyl 6-[5-[(6-amino-3,5-dicyanopyridin-2-yl)sulfanylmethyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoate Traditional Name: 6-[5-[[(6-amino-3,5-dicyano-2-pyridyl)thio]methyl]-2-keto-4-imidazolin-4-yl]-6-keto-hexanoic acid ethyl ester Formula: C19H20N6O4S MolecularWeight: 428.4649

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSC2=C(C=C(C(=N2)N)C#N)C#N

Isomeric SMILES

CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSC2=C(C=C(C(=N2)N)C#N)C#N

InChI

InChI=1S/C19H20N6O4S/c1-2-29-15(27)6-4-3-5-14(26)16-13(23-19(28)24-16)10-30-18-12(9-21)7-11(8-20)17(22)25-18/h7H,2-6,10H2,1H3,(H2,22,25)(H2,23,24,28)