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

Systemtic Name: 4-azanyl-6,7-dimethoxy-3-(2-pyridin-2-ylethyl)-1H-quinazolin-3-ium-2-thione Openeye Name: 4-amino-6,7-dimethoxy-3-[2-(2-pyridyl)ethyl]-1H-quinazolin-3-ium-2-thione CAS Name: 4-amino-6,7-dimethoxy-3-[2-(2-pyridinyl)ethyl]-1H-quinazolin-3-ium-2-thione IUPAC Name: 4-amino-6,7-dimethoxy-3-(2-pyridin-2-ylethyl)-1H-quinazolin-3-ium-2-thione Traditional Name: 4-amino-6,7-dimethoxy-3-[2-(2-pyridyl)ethyl]-1H-quinazolin-3-ium-2-thione Formula: C17H19N4O2S+ MolecularWeight: 343.42336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=[N+](C(=S)N2)CCC3=CC=CC=N3)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=[N+](C(=S)N2)CCC3=CC=CC=N3)N)OC

InChI

InChI=1S/C17H18N4O2S/c1-22-14-9-12-13(10-15(14)23-2)20-17(24)21(16(12)18)8-6-11-5-3-4-7-19-11/h3-5,7,9-10H,6,8H2,1-2H3,(H2,18,20,24)/p+1