4-azanyl-6,7-dimethoxy-3-(2-methoxyethyl)-1H-quinazolin-3-ium-2-thione

Systemtic Name: 4-azanyl-6,7-dimethoxy-3-(2-methoxyethyl)-1H-quinazolin-3-ium-2-thione Openeye Name: 4-amino-6,7-dimethoxy-3-(2-methoxyethyl)-1H-quinazolin-3-ium-2-thione CAS Name: 4-amino-6,7-dimethoxy-3-(2-methoxyethyl)-1H-quinazolin-3-ium-2-thione IUPAC Name: 4-amino-6,7-dimethoxy-3-(2-methoxyethyl)-1H-quinazolin-3-ium-2-thione Traditional Name: 4-amino-6,7-dimethoxy-3-(2-methoxyethyl)-1H-quinazolin-3-ium-2-thione Formula: C13H18N3O3S+ MolecularWeight: 296.36532

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Descriptors Computed from Structure

Canonical SMILES:

COCC[N+]1=C(C2=CC(=C(C=C2NC1=S)OC)OC)N

Isomeric SMILES

COCC[N+]1=C(C2=CC(=C(C=C2NC1=S)OC)OC)N

InChI

InChI=1S/C13H17N3O3S/c1-17-5-4-16-12(14)8-6-10(18-2)11(19-3)7-9(8)15-13(16)20/h6-7H,4-5H2,1-3H3,(H2,14,15,20)/p+1