4-[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-[(5-chloro-2-methoxy-phenyl)methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-[(5-chloro-2-methoxyphenyl)methyl]-1-piperazinyl]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-(5-chloro-2-methoxy-benzyl)piperazino]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C23H23ClN6O MolecularWeight: 434.92132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CN2CCN(CC2)C3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CN2CCN(CC2)C3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C23H23ClN6O/c1-31-21-8-7-18(24)13-17(21)15-28-9-11-29(12-10-28)22-20-14-27-30(23(20)26-16-25-22)19-5-3-2-4-6-19/h2-8,13-14,16H,9-12,15H2,1H3