5-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-pyridylmethylamino)methylene]-2-thioxo-1-(2,4,6-trimethylphenyl)hexahydropyrimidine-4,6-dione CAS Name: 5-[(3-pyridinylmethylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione IUPAC Name: 5-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione Traditional Name: 1-mesityl-5-[(3-pyridylmethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N2C(=O)C(=CNCC3=CN=CC=C3)C(=O)NC2=S)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N2C(=O)C(=CNCC3=CN=CC=C3)C(=O)NC2=S)C

InChI

InChI=1S/C20H20N4O2S/c1-12-7-13(2)17(14(3)8-12)24-19(26)16(18(25)23-20(24)27)11-22-10-15-5-4-6-21-9-15/h4-9,11,22H,10H2,1-3H3,(H,23,25,27)