6-[(2-chlorophenyl)methyl]-1-(3-fluorophenyl)-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one

Systemtic Name: 6-[(2-chlorophenyl)methyl]-1-(3-fluorophenyl)-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Openeye Name: 6-[(2-chlorophenyl)methyl]-1-(3-fluorophenyl)-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one CAS Name: 6-[(2-chlorophenyl)methyl]-1-(3-fluorophenyl)-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one IUPAC Name: 6-[(2-chlorophenyl)methyl]-1-(3-fluorophenyl)-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Traditional Name: 6-(2-chlorobenzyl)-1-(3-fluorophenyl)-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Formula: C19H17ClFN4OS+ MolecularWeight: 403.880883

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(NC[NH+]1CC3=CC=CC=C3Cl)N(C(=S)NC2=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1C2=C(NC[NH+]1CC3=CC=CC=C3Cl)N(C(=S)NC2=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C19H16ClFN4OS/c20-16-7-2-1-4-12(16)9-24-10-15-17(22-11-24)25(19(27)23-18(15)26)14-6-3-5-13(21)8-14/h1-8,22H,9-11H2,(H,23,26,27)/p+1