5-[(2-piperidin-1-ylethylamino)methylidene]-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(2-piperidin-1-ylethylamino)methylidene]-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione Openeye Name: 5-[[2-(1-piperidyl)ethylamino]methylene]-2-thioxo-1-(3,4,5-trimethoxyphenyl)hexahydropyrimidine-4,6-dione CAS Name: 5-[[2-(1-piperidinyl)ethylamino]methylidene]-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2-piperidin-1-ylethylamino)methylidene]-2-sulfanylidene-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-4,6-dione Traditional Name: 5-[(2-piperidinoethylamino)methylene]-2-thioxo-1-(3,4,5-trimethoxyphenyl)hexahydropyrimidine-4,6-quinone Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)N2C(=O)C(=CNCCN3CCCCC3)C(=O)NC2=S

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)N2C(=O)C(=CNCCN3CCCCC3)C(=O)NC2=S

InChI

InChI=1S/C21H28N4O5S/c1-28-16-11-14(12-17(29-2)18(16)30-3)25-20(27)15(19(26)23-21(25)31)13-22-7-10-24-8-5-4-6-9-24/h11-13,22H,4-10H2,1-3H3,(H,23,26,31)