N-(6-morpholin-4-ylpyridin-1-ium-3-yl)-2-thiophen-3-yl-quinazolin-4-amine

Systemtic Name: N-(6-morpholin-4-ylpyridin-1-ium-3-yl)-2-thiophen-3-yl-quinazolin-4-amine Openeye Name: N-(6-morpholinopyridin-1-ium-3-yl)-2-(3-thienyl)quinazolin-4-amine CAS Name: N-[6-(4-morpholinyl)-3-pyridin-1-iumyl]-2-(3-thiophenyl)-4-quinazolinamine IUPAC Name: N-(6-morpholin-4-ylpyridin-1-ium-3-yl)-2-thiophen-3-ylquinazolin-4-amine Traditional Name: (6-morpholinopyridin-1-ium-3-yl)-[2-(3-thienyl)quinazolin-4-yl]amine Formula: C21H20N5OS+ MolecularWeight: 390.4814

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)C5=CSC=C5

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)C5=CSC=C5

InChI

InChI=1S/C21H19N5OS/c1-2-4-18-17(3-1)21(25-20(24-18)15-7-12-28-14-15)23-16-5-6-19(22-13-16)26-8-10-27-11-9-26/h1-7,12-14H,8-11H2,(H,23,24,25)/p+1