4-azanyl-6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-1H-quinazolin-3-ium-2-thione

Systemtic Name: 4-azanyl-6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-1H-quinazolin-3-ium-2-thione Openeye Name: 4-amino-6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-1H-quinazolin-3-ium-2-thione CAS Name: 4-amino-6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-1H-quinazolin-3-ium-2-thione IUPAC Name: 4-amino-6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-1H-quinazolin-3-ium-2-thione Traditional Name: 4-amino-6,7-dimethoxy-3-p-anisyl-1H-quinazolin-3-ium-2-thione Formula: C18H20N3O3S+ MolecularWeight: 358.4347

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[N+]2=C(C3=CC(=C(C=C3NC2=S)OC)OC)N

Isomeric SMILES

COC1=CC=C(C=C1)C[N+]2=C(C3=CC(=C(C=C3NC2=S)OC)OC)N

InChI

InChI=1S/C18H19N3O3S/c1-22-12-6-4-11(5-7-12)10-21-17(19)13-8-15(23-2)16(24-3)9-14(13)20-18(21)25/h4-9H,10H2,1-3H3,(H2,19,20,25)/p+1