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

Systemtic Name: 4-[4-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-1-piperazinyl]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazino]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C21H23ClN8 MolecularWeight: 422.91392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCN(CC2)C3=NC=NC4=C3C=NN4C)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1CN2CCN(CC2)C3=NC=NC4=C3C=NN4C)Cl)C5=CC=CC=C5

InChI

InChI=1S/C21H23ClN8/c1-15-18(19(22)30(26-15)16-6-4-3-5-7-16)13-28-8-10-29(11-9-28)21-17-12-25-27(2)20(17)23-14-24-21/h3-7,12,14H,8-11,13H2,1-2H3