6-chloranyl-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 6-chloranyl-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 6-chloro-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 6-chloro-4-[4-(4,6-dimethyl-2-pyrimidinyl)-1-piperazinyl]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 6-chloro-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 6-chloro-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazino]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C21H21ClN8 MolecularWeight: 420.89804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)C3=NC(=NC4=C3C=NN4C5=CC=CC=C5)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)C3=NC(=NC4=C3C=NN4C5=CC=CC=C5)Cl)C

InChI

InChI=1S/C21H21ClN8/c1-14-12-15(2)25-21(24-14)29-10-8-28(9-11-29)18-17-13-23-30(16-6-4-3-5-7-16)19(17)27-20(22)26-18/h3-7,12-13H,8-11H2,1-2H3