1-(4-ethylpiperazin-4-ium-1-yl)-3-[(2-thiophen-2-ylquinazolin-4-yl)amino]propan-1-one

Systemtic Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-[(2-thiophen-2-ylquinazolin-4-yl)amino]propan-1-one Openeye Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-[[2-(2-thienyl)quinazolin-4-yl]amino]propan-1-one CAS Name: 1-(4-ethyl-1-piperazin-4-iumyl)-3-[(2-thiophen-2-yl-4-quinazolinyl)amino]-1-propanone IUPAC Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-[(2-thiophen-2-ylquinazolin-4-yl)amino]propan-1-one Traditional Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-[[2-(2-thienyl)quinazolin-4-yl]amino]propan-1-one Formula: C21H26N5OS+ MolecularWeight: 396.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CCNC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CCNC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C21H25N5OS/c1-2-25-11-13-26(14-12-25)19(27)9-10-22-20-16-6-3-4-7-17(16)23-21(24-20)18-8-5-15-28-18/h3-8,15H,2,9-14H2,1H3,(H,22,23,24)/p+1