3-(furan-2-ylmethyl)-6,7-dimethoxy-2-[(2-methylphenyl)methylsulfanyl]quinazolin-3-ium-4-amine

Systemtic Name: 3-(furan-2-ylmethyl)-6,7-dimethoxy-2-[(2-methylphenyl)methylsulfanyl]quinazolin-3-ium-4-amine Openeye Name: 3-(2-furylmethyl)-6,7-dimethoxy-2-(o-tolylmethylsulfanyl)quinazolin-3-ium-4-amine CAS Name: 3-(2-furanylmethyl)-6,7-dimethoxy-2-[(2-methylphenyl)methylthio]-4-quinazolin-3-iumamine IUPAC Name: 3-(furan-2-ylmethyl)-6,7-dimethoxy-2-[(2-methylphenyl)methylsulfanyl]quinazolin-3-ium-4-amine Traditional Name: [3-(2-furfuryl)-6,7-dimethoxy-2-[(2-methylbenzyl)thio]quinazolin-3-ium-4-yl]amine Formula: C23H24N3O3S+ MolecularWeight: 422.51996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=CC(=C(C=C3C(=[N+]2CC4=CC=CO4)N)OC)OC

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=CC(=C(C=C3C(=[N+]2CC4=CC=CO4)N)OC)OC

InChI

InChI=1S/C23H23N3O3S/c1-15-7-4-5-8-16(15)14-30-23-25-19-12-21(28-3)20(27-2)11-18(19)22(24)26(23)13-17-9-6-10-29-17/h4-12,24H,13-14H2,1-3H3/p+1