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

Systemtic Name: 5-[(2-diethylaminoethylamino)methylidene]-1-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(2-diethylaminoethylamino)methylene]-1-[(4-fluorophenyl)methyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(2-diethylaminoethylamino)methylidene]-1-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2-diethylaminoethylamino)methylidene]-1-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(2-diethylaminoethylamino)methylene]-1-(4-fluorobenzyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H23FN4O2S MolecularWeight: 378.464223

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC=C1C(=O)NC(=S)N(C1=O)CC2=CC=C(C=C2)F

Isomeric SMILES

CCN(CC)CCNC=C1C(=O)NC(=S)N(C1=O)CC2=CC=C(C=C2)F

InChI

InChI=1S/C18H23FN4O2S/c1-3-22(4-2)10-9-20-11-15-16(24)21-18(26)23(17(15)25)12-13-5-7-14(19)8-6-13/h5-8,11,20H,3-4,9-10,12H2,1-2H3,(H,21,24,26)