N-(furan-2-ylmethyl)-4-oxidanylidene-3-prop-2-enyl-2-(pyridin-1-ium-3-ylmethylsulfanyl)quinazoline-7-carboxamide

Systemtic Name: N-(furan-2-ylmethyl)-4-oxidanylidene-3-prop-2-enyl-2-(pyridin-1-ium-3-ylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: 3-allyl-N-(2-furylmethyl)-4-oxo-2-(pyridin-1-ium-3-ylmethylsulfanyl)quinazoline-7-carboxamide CAS Name: N-(2-furanylmethyl)-4-oxo-3-prop-2-enyl-2-(3-pyridin-1-iumylmethylthio)-7-quinazolinecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-4-oxo-3-prop-2-enyl-2-(pyridin-1-ium-3-ylmethylsulfanyl)quinazoline-7-carboxamide Traditional Name: 3-allyl-N-(2-furfuryl)-4-keto-2-(pyridin-1-ium-3-ylmethylthio)quinazoline-7-carboxamide Formula: C23H21N4O3S+ MolecularWeight: 433.50284

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CO3)N=C1SCC4=C[NH+]=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CO3)N=C1SCC4=C[NH+]=CC=C4

InChI

InChI=1S/C23H20N4O3S/c1-2-10-27-22(29)19-8-7-17(21(28)25-14-18-6-4-11-30-18)12-20(19)26-23(27)31-15-16-5-3-9-24-13-16/h2-9,11-13H,1,10,14-15H2,(H,25,28)/p+1