3-(6-azanylpyridin-3-yl)sulfanyl-1-butan-2-yl-pyrrolidine-2,5-dione

Systemtic Name: 3-(6-azanylpyridin-3-yl)sulfanyl-1-butan-2-yl-pyrrolidine-2,5-dione Openeye Name: 3-[(6-amino-3-pyridyl)sulfanyl]-1-sec-butyl-pyrrolidine-2,5-dione CAS Name: 3-[(6-amino-3-pyridinyl)thio]-1-butan-2-ylpyrrolidine-2,5-dione IUPAC Name: 3-(6-aminopyridin-3-yl)sulfanyl-1-butan-2-ylpyrrolidine-2,5-dione Traditional Name: 3-[(6-amino-3-pyridyl)thio]-1-sec-butyl-pyrrolidine-2,5-quinone Formula: C13H17N3O2S MolecularWeight: 279.35798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)CC(C1=O)SC2=CN=C(C=C2)N

Isomeric SMILES

CCC(C)N1C(=O)CC(C1=O)SC2=CN=C(C=C2)N

InChI

InChI=1S/C13H17N3O2S/c1-3-8(2)16-12(17)6-10(13(16)18)19-9-4-5-11(14)15-7-9/h4-5,7-8,10H,3,6H2,1-2H3,(H2,14,15)