1-methyl-2-[(4-oxidanylidene-3,1-benzoxazin-2-yl)methylsulfanyl]-1,3-diazinane-4,6-dione

Systemtic Name: 1-methyl-2-[(4-oxidanylidene-3,1-benzoxazin-2-yl)methylsulfanyl]-1,3-diazinane-4,6-dione Openeye Name: 1-methyl-2-[(4-oxo-3,1-benzoxazin-2-yl)methylsulfanyl]hexahydropyrimidine-4,6-dione CAS Name: 1-methyl-2-[(4-oxo-3,1-benzoxazin-2-yl)methylthio]-1,3-diazinane-4,6-dione IUPAC Name: 1-methyl-2-[(4-oxo-3,1-benzoxazin-2-yl)methylsulfanyl]-1,3-diazinane-4,6-dione Traditional Name: 2-[(4-keto-3,1-benzoxazin-2-yl)methylthio]-1-methyl-hexahydropyrimidine-4,6-quinone Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(NC(=O)CC1=O)SCC2=NC3=CC=CC=C3C(=O)O2

Isomeric SMILES

CN1C(NC(=O)CC1=O)SCC2=NC3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C14H13N3O4S/c1-17-12(19)6-10(18)16-14(17)22-7-11-15-9-5-3-2-4-8(9)13(20)21-11/h2-5,14H,6-7H2,1H3,(H,16,18)