6,7-dimethoxy-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinazolin-4-amine trihydrochloride

Systemtic Name: 6,7-dimethoxy-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinazolin-4-amine trihydrochloride Openeye Name: 6,7-dimethoxy-2-[4-(2-pyridylmethyl)piperazin-1-yl]quinazolin-4-amine trihydrochloride CAS Name: 6,7-dimethoxy-2-[4-(2-pyridinylmethyl)-1-piperazinyl]-4-quinazolinamine trihydrochloride IUPAC Name: 6,7-dimethoxy-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinazolin-4-amine trihydrochloride Traditional Name: [6,7-dimethoxy-2-[4-(2-pyridylmethyl)piperazino]quinazolin-4-yl]amine trihydrochloride Formula: C20H27Cl3N6O2 MolecularWeight: 489.82638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)CC4=CC=CC=N4)N)OC.Cl.Cl.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)CC4=CC=CC=N4)N)OC.Cl.Cl.Cl

InChI

InChI=1S/C20H24N6O2.3ClH/c1-27-17-11-15-16(12-18(17)28-2)23-20(24-19(15)21)26-9-7-25(8-10-26)13-14-5-3-4-6-22-14;;;/h3-6,11-12H,7-10,13H2,1-2H3,(H2,21,23,24);3*1H