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

Systemtic Name: 1-(2,4-dimethylphenyl)-5-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(2,4-dimethylphenyl)-5-[(3-pyridylmethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(2,4-dimethylphenyl)-5-[(3-pyridinylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(2,4-dimethylphenyl)-5-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(2,4-dimethylphenyl)-5-[(3-pyridylmethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O2S/c1-12-5-6-16(13(2)8-12)23-18(25)15(17(24)22-19(23)26)11-21-10-14-4-3-7-20-9-14/h3-9,11,21H,10H2,1-2H3,(H,22,24,26)