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

Systemtic Name: 4-azanyl-3-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,7-dimethoxy-1H-quinazolin-3-ium-2-thione Openeye Name: 4-amino-3-[(3-chloro-4-methoxy-phenyl)methyl]-6,7-dimethoxy-1H-quinazolin-3-ium-2-thione CAS Name: 4-amino-3-[(3-chloro-4-methoxyphenyl)methyl]-6,7-dimethoxy-1H-quinazolin-3-ium-2-thione IUPAC Name: 4-amino-3-[(3-chloro-4-methoxyphenyl)methyl]-6,7-dimethoxy-1H-quinazolin-3-ium-2-thione Traditional Name: 4-amino-3-(3-chloro-4-methoxy-benzyl)-6,7-dimethoxy-1H-quinazolin-3-ium-2-thione Formula: C18H19ClN3O3S+ MolecularWeight: 392.87976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O3S/c1-23-14-5-4-10(6-12(14)19)9-22-17(20)11-7-15(24-2)16(25-3)8-13(11)21-18(22)26/h4-8H,9H2,1-3H3,(H2,20,21,26)/p+1