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

Systemtic Name: 1-(3-fluorophenyl)-6-propyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Openeye Name: 1-(3-fluorophenyl)-6-propyl-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one CAS Name: 1-(3-fluorophenyl)-6-propyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one IUPAC Name: 1-(3-fluorophenyl)-6-propyl-2-sulfanylidene-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Traditional Name: 1-(3-fluorophenyl)-6-propyl-2-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-4-one Formula: C15H18FN4OS+ MolecularWeight: 321.393023

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CC2=C(NC1)N(C(=S)NC2=O)C3=CC(=CC=C3)F

Isomeric SMILES

CCC[NH+]1CC2=C(NC1)N(C(=S)NC2=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C15H17FN4OS/c1-2-6-19-8-12-13(17-9-19)20(15(22)18-14(12)21)11-5-3-4-10(16)7-11/h3-5,7,17H,2,6,8-9H2,1H3,(H,18,21,22)/p+1