3-[(2-chlorophenyl)methyl]-2-ethylsulfanyl-6,7-dimethoxy-quinazolin-3-ium-4-amine

Systemtic Name: 3-[(2-chlorophenyl)methyl]-2-ethylsulfanyl-6,7-dimethoxy-quinazolin-3-ium-4-amine Openeye Name: 3-[(2-chlorophenyl)methyl]-2-ethylsulfanyl-6,7-dimethoxy-quinazolin-3-ium-4-amine CAS Name: 3-[(2-chlorophenyl)methyl]-2-(ethylthio)-6,7-dimethoxy-4-quinazolin-3-iumamine IUPAC Name: 3-[(2-chlorophenyl)methyl]-2-ethylsulfanyl-6,7-dimethoxyquinazolin-3-ium-4-amine Traditional Name: [3-(2-chlorobenzyl)-2-(ethylthio)-6,7-dimethoxy-quinazolin-3-ium-4-yl]amine Formula: C19H21ClN3O2S+ MolecularWeight: 390.90694

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=CC(=C(C=C2C(=[N+]1CC3=CC=CC=C3Cl)N)OC)OC

Isomeric SMILES

CCSC1=NC2=CC(=C(C=C2C(=[N+]1CC3=CC=CC=C3Cl)N)OC)OC

InChI

InChI=1S/C19H20ClN3O2S/c1-4-26-19-22-15-10-17(25-3)16(24-2)9-13(15)18(21)23(19)11-12-7-5-6-8-14(12)20/h5-10,21H,4,11H2,1-3H3/p+1