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

Systemtic Name: 4-azanyl-3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-1H-quinazolin-3-ium-2-thione Openeye Name: 4-amino-3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-1H-quinazolin-3-ium-2-thione CAS Name: 4-amino-3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-1H-quinazolin-3-ium-2-thione IUPAC Name: 4-amino-3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-1H-quinazolin-3-ium-2-thione Traditional Name: 4-amino-3-(2-chlorobenzyl)-6,7-dimethoxy-1H-quinazolin-3-ium-2-thione Formula: C17H17ClN3O2S+ MolecularWeight: 362.85378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=[N+](C(=S)N2)CC3=CC=CC=C3Cl)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=[N+](C(=S)N2)CC3=CC=CC=C3Cl)N)OC

InChI

InChI=1S/C17H16ClN3O2S/c1-22-14-7-11-13(8-15(14)23-2)20-17(24)21(16(11)19)9-10-5-3-4-6-12(10)18/h3-8H,9H2,1-2H3,(H2,19,20,24)/p+1