4-azanyl-6,7-dimethoxy-3-phenethyl-1H-quinazolin-3-ium-2-thione

Systemtic Name: 4-azanyl-6,7-dimethoxy-3-phenethyl-1H-quinazolin-3-ium-2-thione Openeye Name: 4-amino-6,7-dimethoxy-3-phenethyl-1H-quinazolin-3-ium-2-thione CAS Name: 4-amino-6,7-dimethoxy-3-phenethyl-1H-quinazolin-3-ium-2-thione IUPAC Name: 4-amino-6,7-dimethoxy-3-phenethyl-1H-quinazolin-3-ium-2-thione Traditional Name: 4-amino-6,7-dimethoxy-3-phenethyl-1H-quinazolin-3-ium-2-thione Formula: C18H20N3O2S+ MolecularWeight: 342.4353

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=[N+](C(=S)N2)CCC3=CC=CC=C3)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=[N+](C(=S)N2)CCC3=CC=CC=C3)N)OC

InChI

InChI=1S/C18H19N3O2S/c1-22-15-10-13-14(11-16(15)23-2)20-18(24)21(17(13)19)9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,19,20,24)/p+1