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

Systemtic Name: 1,3-dimethyl-5-[(phenylmethylsulfanyl)-(prop-2-enylamino)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(allylamino)-benzylsulfanyl-methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione CAS Name: 1,3-dimethyl-5-[(phenylmethylthio)-(prop-2-enylamino)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[benzylsulfanyl-(prop-2-enylamino)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(allylamino)-(benzylthio)methylene]-1,3-dimethyl-barbituric acid Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(NCC=C)SCC2=CC=CC=C2)C(=O)N(C1=O)C

Isomeric SMILES

CN1C(=O)C(=C(NCC=C)SCC2=CC=CC=C2)C(=O)N(C1=O)C

InChI

InChI=1S/C17H19N3O3S/c1-4-10-18-14(24-11-12-8-6-5-7-9-12)13-15(21)19(2)17(23)20(3)16(13)22/h4-9,18H,1,10-11H2,2-3H3