4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)phthalazine-6-carbonitrile dihydrochloride

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)phthalazine-6-carbonitrile dihydrochloride Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)phthalazine-6-carbonitrile dihydrochloride CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-6-phthalazinecarbonitrile dihydrochloride IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)phthalazine-6-carbonitrile dihydrochloride Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-[4-(2-pyrimidyl)piperazino]phthalazine-6-carbonitrile dihydrochloride Formula: C25H25Cl3N8O MolecularWeight: 559.878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCN(CC4)C5=NC=CC=N5)Cl.Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCN(CC4)C5=NC=CC=N5)Cl.Cl.Cl

InChI

InChI=1S/C25H23ClN8O.2ClH/c1-35-22-6-4-18(14-21(22)26)16-30-23-20-13-17(15-27)3-5-19(20)24(32-31-23)33-9-11-34(12-10-33)25-28-7-2-8-29-25;;/h2-8,13-14H,9-12,16H2,1H3,(H,30,31);2*1H