5-(butyliminomethyl)-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-(butyliminomethyl)-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-(butyliminomethyl)-1-(4-fluorophenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-(butyliminomethyl)-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-(butyliminomethyl)-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(butyliminomethyl)-1-(4-fluorophenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C15H16FN3O2S MolecularWeight: 321.369843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=CC1C(=O)NC(=S)N(C1=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCCCN=CC1C(=O)NC(=S)N(C1=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C15H16FN3O2S/c1-2-3-8-17-9-12-13(20)18-15(22)19(14(12)21)11-6-4-10(16)5-7-11/h4-7,9,12H,2-3,8H2,1H3,(H,18,20,22)