1,3-dimethyl-5-[2-oxidanylidenepropylsulfanyl-(prop-2-enylamino)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1,3-dimethyl-5-[2-oxidanylidenepropylsulfanyl-(prop-2-enylamino)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[acetonylsulfanyl-(allylamino)methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione CAS Name: 1,3-dimethyl-5-[(2-oxopropylthio)-(prop-2-enylamino)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1,3-dimethyl-5-[2-oxopropylsulfanyl-(prop-2-enylamino)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(acetonylthio)-(allylamino)methylene]-1,3-dimethyl-barbituric acid Formula: C13H17N3O4S MolecularWeight: 311.35678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC(=C1C(=O)N(C(=O)N(C1=O)C)C)NCC=C

Isomeric SMILES

CC(=O)CSC(=C1C(=O)N(C(=O)N(C1=O)C)C)NCC=C

InChI

InChI=1S/C13H17N3O4S/c1-5-6-14-10(21-7-8(2)17)9-11(18)15(3)13(20)16(4)12(9)19/h5,14H,1,6-7H2,2-4H3