4-oxidanyl-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinane-5-carbonitrile

Systemtic Name: 4-oxidanyl-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinane-5-carbonitrile Openeye Name: 4-hydroxy-2-thioxo-6-(3,4,5-trimethoxyphenyl)hexahydropyrimidine-5-carbonitrile CAS Name: 4-hydroxy-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinane-5-carbonitrile IUPAC Name: 4-hydroxy-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinane-5-carbonitrile Traditional Name: 4-hydroxy-2-thioxo-6-(3,4,5-trimethoxyphenyl)hexahydropyrimidine-5-carbonitrile Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C(C(NC(=S)N2)O)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2C(C(NC(=S)N2)O)C#N

InChI

InChI=1S/C14H17N3O4S/c1-19-9-4-7(5-10(20-2)12(9)21-3)11-8(6-15)13(18)17-14(22)16-11/h4-5,8,11,13,18H,1-3H3,(H2,16,17,22)