(5R)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5R)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5R)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-methyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5R)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5R)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5R)-1-methyl-5-(piperonyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C(=O)NC1=S)C=NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN1C(=O)[C@@H](C(=O)NC1=S)C=NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H13N3O4S/c1-17-13(19)9(12(18)16-14(17)22)6-15-5-8-2-3-10-11(4-8)21-7-20-10/h2-4,6,9H,5,7H2,1H3,(H,16,18,22)/t9-/m1/s1