3-ethyl-8-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]-1H-imidazo[4,5-g]quinazoline-2-thione trihydrochloride

Systemtic Name: 3-ethyl-8-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]-1H-imidazo[4,5-g]quinazoline-2-thione trihydrochloride Openeye Name: 3-ethyl-8-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]-1H-imidazo[4,5-g]quinazoline-2-thione trihydrochloride CAS Name: 3-ethyl-8-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propylamino]-1H-imidazo[4,5-g]quinazoline-2-thione trihydrochloride IUPAC Name: 3-ethyl-8-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]-1H-imidazo[4,5-g]quinazoline-2-thione trihydrochloride Traditional Name: 3-ethyl-8-[3-[4-(2-pyrimidyl)piperazino]propylamino]-1H-imidazo[4,5-g]quinazoline-2-thione trihydrochloride Formula: C22H30Cl3N9S MolecularWeight: 558.9579

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C3C(=C2)N=CN=C3NCCCN4CCN(CC4)C5=NC=CC=N5)NC1=S.Cl.Cl.Cl

Isomeric SMILES

CCN1C2=C(C=C3C(=C2)N=CN=C3NCCCN4CCN(CC4)C5=NC=CC=N5)NC1=S.Cl.Cl.Cl

InChI

InChI=1S/C22H27N9S.3ClH/c1-2-31-19-14-17-16(13-18(19)28-22(31)32)20(27-15-26-17)23-7-4-8-29-9-11-30(12-10-29)21-24-5-3-6-25-21;;;/h3,5-6,13-15H,2,4,7-12H2,1H3,(H,28,32)(H,23,26,27);3*1H