5-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethylene)-1-(2-fluorophenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethylene)-1-(2-fluorophenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H16FN3O2S MolecularWeight: 381.423343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4F

InChI

InChI=1S/C20H16FN3O2S/c21-16-7-3-4-8-17(16)24-19(26)15(18(25)22-20(24)27)12-23-10-9-13-5-1-2-6-14(13)11-23/h1-8,12H,9-11H2,(H,22,25,27)