6,7-dimethoxy-2-[4-(2-phenoxypyrimidin-4-yl)piperazin-1-yl]quinolin-4-amine dihydrochloride

Systemtic Name: 6,7-dimethoxy-2-[4-(2-phenoxypyrimidin-4-yl)piperazin-1-yl]quinolin-4-amine dihydrochloride Openeye Name: 6,7-dimethoxy-2-[4-(2-phenoxypyrimidin-4-yl)piperazin-1-yl]quinolin-4-amine dihydrochloride CAS Name: 6,7-dimethoxy-2-[4-(2-phenoxy-4-pyrimidinyl)-1-piperazinyl]-4-quinolinamine dihydrochloride IUPAC Name: 6,7-dimethoxy-2-[4-(2-phenoxypyrimidin-4-yl)piperazin-1-yl]quinolin-4-amine dihydrochloride Traditional Name: [6,7-dimethoxy-2-[4-(2-phenoxypyrimidin-4-yl)piperazino]-4-quinolyl]amine dihydrochloride Formula: C25H28Cl2N6O3 MolecularWeight: 531.43422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CC(=N2)N3CCN(CC3)C4=NC(=NC=C4)OC5=CC=CC=C5)N)OC.Cl.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CC(=N2)N3CCN(CC3)C4=NC(=NC=C4)OC5=CC=CC=C5)N)OC.Cl.Cl

InChI

InChI=1S/C25H26N6O3.2ClH/c1-32-21-14-18-19(26)15-24(28-20(18)16-22(21)33-2)31-12-10-30(11-13-31)23-8-9-27-25(29-23)34-17-6-4-3-5-7-17;;/h3-9,14-16H,10-13H2,1-2H3,(H2,26,28);2*1H