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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-5-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-[(4-fluorophenyl)methyl]-5-[(3-pyridylmethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-[(4-fluorophenyl)methyl]-5-[(3-pyridinylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-[(4-fluorophenyl)methyl]-5-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-fluorobenzyl)-5-[(3-pyridylmethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H15FN4O2S MolecularWeight: 370.400703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC=C2C(=O)NC(=S)N(C2=O)CC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC(=CN=C1)CNC=C2C(=O)NC(=S)N(C2=O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C18H15FN4O2S/c19-14-5-3-12(4-6-14)11-23-17(25)15(16(24)22-18(23)26)10-21-9-13-2-1-7-20-8-13/h1-8,10,21H,9,11H2,(H,22,24,26)