3-(furan-2-ylmethyl)-2-(pyridin-1-ium-4-ylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(furan-2-ylmethyl)-2-(pyridin-1-ium-4-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-(2-furylmethyl)-2-(pyridin-1-ium-4-ylmethylsulfanyl)quinazolin-4-one CAS Name: 3-(2-furanylmethyl)-2-(4-pyridin-1-iumylmethylthio)-4-quinazolinone IUPAC Name: 3-(furan-2-ylmethyl)-2-(pyridin-1-ium-4-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-(2-furfuryl)-2-(pyridin-1-ium-4-ylmethylthio)quinazolin-4-one Formula: C19H16N3O2S+ MolecularWeight: 350.41424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=[NH+]C=C3)CC4=CC=CO4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=[NH+]C=C3)CC4=CC=CO4

InChI

InChI=1S/C19H15N3O2S/c23-18-16-5-1-2-6-17(16)21-19(22(18)12-15-4-3-11-24-15)25-13-14-7-9-20-10-8-14/h1-11H,12-13H2/p+1