(3-chloranyl-4-methoxy-phenyl)methyl-[7-cyano-5-(4-pyrimidin-2-ylpiperazin-1-yl)phthalazin-1-yl]azanium chloride

Systemtic Name: (3-chloranyl-4-methoxy-phenyl)methyl-[7-cyano-5-(4-pyrimidin-2-ylpiperazin-1-yl)phthalazin-1-yl]azanium chloride Openeye Name: (3-chloro-4-methoxy-phenyl)methyl-[7-cyano-5-(4-pyrimidin-2-ylpiperazin-1-yl)phthalazin-1-yl]ammonium chloride CAS Name: (3-chloro-4-methoxyphenyl)methyl-[7-cyano-5-[4-(2-pyrimidinyl)-1-piperazinyl]-1-phthalazinyl]ammonium chloride IUPAC Name: (3-chloro-4-methoxyphenyl)methyl-[7-cyano-5-(4-pyrimidin-2-ylpiperazin-1-yl)phthalazin-1-yl]azanium chloride Traditional Name: (3-chloro-4-methoxy-benzyl)-[7-cyano-5-[4-(2-pyrimidyl)piperazino]phthalazin-1-yl]ammonium chloride Formula: C25H24Cl2N8O MolecularWeight: 523.41706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]C2=C3C=C(C=C(C3=CN=N2)N4CCN(CC4)C5=NC=CC=N5)C#N)Cl.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]C2=C3C=C(C=C(C3=CN=N2)N4CCN(CC4)C5=NC=CC=N5)C#N)Cl.[Cl-]

InChI

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