6,7-dimethoxy-3-(3-morpholin-4-ylpropyl)-2-propylsulfanyl-quinazolin-3-ium-4-amine

Systemtic Name: 6,7-dimethoxy-3-(3-morpholin-4-ylpropyl)-2-propylsulfanyl-quinazolin-3-ium-4-amine Openeye Name: 6,7-dimethoxy-3-(3-morpholinopropyl)-2-propylsulfanyl-quinazolin-3-ium-4-amine CAS Name: 6,7-dimethoxy-3-[3-(4-morpholinyl)propyl]-2-(propylthio)-4-quinazolin-3-iumamine IUPAC Name: 6,7-dimethoxy-3-(3-morpholin-4-ylpropyl)-2-propylsulfanylquinazolin-3-ium-4-amine Traditional Name: [6,7-dimethoxy-3-(3-morpholinopropyl)-2-(propylthio)quinazolin-3-ium-4-yl]amine Formula: C20H31N4O3S+ MolecularWeight: 407.55014

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=CC(=C(C=C2C(=[N+]1CCCN3CCOCC3)N)OC)OC

Isomeric SMILES

CCCSC1=NC2=CC(=C(C=C2C(=[N+]1CCCN3CCOCC3)N)OC)OC

InChI

InChI=1S/C20H30N4O3S/c1-4-12-28-20-22-16-14-18(26-3)17(25-2)13-15(16)19(21)24(20)7-5-6-23-8-10-27-11-9-23/h13-14,21H,4-12H2,1-3H3/p+1