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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-5-[(piperidin-1-ylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-[(4-fluorophenyl)methyl]-5-[(1-piperidylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-[(4-fluorophenyl)methyl]-5-[(1-piperidinylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-[(4-fluorophenyl)methyl]-5-[(piperidin-1-ylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-fluorobenzyl)-5-[(piperidinoamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H19FN4O2S MolecularWeight: 362.421763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)NC=C2C(=O)NC(=S)N(C2=O)CC3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(CC1)NC=C2C(=O)NC(=S)N(C2=O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C17H19FN4O2S/c18-13-6-4-12(5-7-13)11-22-16(24)14(15(23)20-17(22)25)10-19-21-8-2-1-3-9-21/h4-7,10,19H,1-3,8-9,11H2,(H,20,23,25)