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

Systemtic Name: 4-azanyl-6,7-dimethoxy-3-(3-morpholin-4-ylpropyl)-1H-quinazolin-3-ium-2-thione Openeye Name: 4-amino-6,7-dimethoxy-3-(3-morpholinopropyl)-1H-quinazolin-3-ium-2-thione CAS Name: 4-amino-6,7-dimethoxy-3-[3-(4-morpholinyl)propyl]-1H-quinazolin-3-ium-2-thione IUPAC Name: 4-amino-6,7-dimethoxy-3-(3-morpholin-4-ylpropyl)-1H-quinazolin-3-ium-2-thione Traditional Name: 4-amino-6,7-dimethoxy-3-(3-morpholinopropyl)-1H-quinazolin-3-ium-2-thione Formula: C17H25N4O3S+ MolecularWeight: 365.4704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=[N+](C(=S)N2)CCCN3CCOCC3)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=[N+](C(=S)N2)CCCN3CCOCC3)N)OC

InChI

InChI=1S/C17H24N4O3S/c1-22-14-10-12-13(11-15(14)23-2)19-17(25)21(16(12)18)5-3-4-20-6-8-24-9-7-20/h10-11H,3-9H2,1-2H3,(H2,18,19,25)/p+1