4-[3-(4-methylpiperazine-1,4-diium-1-yl)propylamino]-1H-quinazoline-2-thione

Systemtic Name: 4-[3-(4-methylpiperazine-1,4-diium-1-yl)propylamino]-1H-quinazoline-2-thione Openeye Name: 4-[3-(4-methylpiperazine-1,4-diium-1-yl)propylamino]-1H-quinazoline-2-thione CAS Name: 4-[3-(4-methyl-1-piperazine-1,4-diiumyl)propylamino]-1H-quinazoline-2-thione IUPAC Name: 4-[3-(4-methylpiperazine-1,4-diium-1-yl)propylamino]-1H-quinazoline-2-thione Traditional Name: 4-[3-(4-methylpiperazine-1,4-diium-1-yl)propylamino]-1H-quinazoline-2-thione Formula: C16H25N5S+2 MolecularWeight: 319.4682

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCNC2=NC(=S)NC3=CC=CC=C32

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCNC2=NC(=S)NC3=CC=CC=C32

InChI

InChI=1S/C16H23N5S/c1-20-9-11-21(12-10-20)8-4-7-17-15-13-5-2-3-6-14(13)18-16(22)19-15/h2-3,5-6H,4,7-12H2,1H3,(H2,17,18,19,22)/p+2