N-[3-(4-ethylpiperazin-1-ium-1-yl)propyl]-2-thiophen-3-yl-quinazolin-4-amine

Systemtic Name: N-[3-(4-ethylpiperazin-1-ium-1-yl)propyl]-2-thiophen-3-yl-quinazolin-4-amine Openeye Name: N-[3-(4-ethylpiperazin-1-ium-1-yl)propyl]-2-(3-thienyl)quinazolin-4-amine CAS Name: N-[3-(4-ethyl-1-piperazin-1-iumyl)propyl]-2-(3-thiophenyl)-4-quinazolinamine IUPAC Name: N-[3-(4-ethylpiperazin-1-ium-1-yl)propyl]-2-thiophen-3-ylquinazolin-4-amine Traditional Name: 3-(4-ethylpiperazin-1-ium-1-yl)propyl-[2-(3-thienyl)quinazolin-4-yl]amine Formula: C21H28N5S+ MolecularWeight: 382.54552

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CCCNC2=NC(=NC3=CC=CC=C32)C4=CSC=C4

Isomeric SMILES

CCN1CC[NH+](CC1)CCCNC2=NC(=NC3=CC=CC=C32)C4=CSC=C4

InChI

InChI=1S/C21H27N5S/c1-2-25-11-13-26(14-12-25)10-5-9-22-21-18-6-3-4-7-19(18)23-20(24-21)17-8-15-27-16-17/h3-4,6-8,15-16H,2,5,9-14H2,1H3,(H,22,23,24)/p+1