6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2-[[(2R)-oxiran-2-yl]methylsulfanyl]quinazolin-3-ium-4-amine

Systemtic Name: 6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2-[[(2R)-oxiran-2-yl]methylsulfanyl]quinazolin-3-ium-4-amine Openeye Name: 6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2-[[(2R)-oxiran-2-yl]methylsulfanyl]quinazolin-3-ium-4-amine CAS Name: 6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2-[[(2R)-2-oxiranyl]methylthio]-4-quinazolin-3-iumamine IUPAC Name: 6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2-[[(2R)-oxiran-2-yl]methylsulfanyl]quinazolin-3-ium-4-amine Traditional Name: [6,7-dimethoxy-2-[[(2R)-oxiran-2-yl]methylthio]-3-p-anisyl-quinazolin-3-ium-4-yl]amine Formula: C21H24N3O4S+ MolecularWeight: 414.49796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[N+]2=C(C3=CC(=C(C=C3N=C2SCC4CO4)OC)OC)N

Isomeric SMILES

COC1=CC=C(C=C1)C[N+]2=C(C3=CC(=C(C=C3N=C2SC[C@H]4CO4)OC)OC)N

InChI

InChI=1S/C21H23N3O4S/c1-25-14-6-4-13(5-7-14)10-24-20(22)16-8-18(26-2)19(27-3)9-17(16)23-21(24)29-12-15-11-28-15/h4-9,15,22H,10-12H2,1-3H3/p+1/t15-/m1/s1