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

Systemtic Name: (5R)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-(2-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5R)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-(2-methoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5R)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-(2-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5R)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-(2-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5R)-1-(2-methoxyphenyl)-5-(piperonyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C(C(=O)NC2=S)C=NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)[C@@H](C(=O)NC2=S)C=NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H17N3O5S/c1-26-15-5-3-2-4-14(15)23-19(25)13(18(24)22-20(23)29)10-21-9-12-6-7-16-17(8-12)28-11-27-16/h2-8,10,13H,9,11H2,1H3,(H,22,24,29)/t13-/m1/s1