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

Systemtic Name: 6-chloranyl-1-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine Openeye Name: 6-chloro-1-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine CAS Name: 6-chloro-1-phenyl-4-[4-(2-pyrimidinyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine IUPAC Name: 6-chloro-1-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine Traditional Name: 6-chloro-1-phenyl-4-[4-(2-pyrimidyl)piperazino]pyrazolo[3,4-d]pyrimidine Formula: C19H17ClN8 MolecularWeight: 392.84488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)Cl)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)Cl)C5=NC=CC=N5

InChI

InChI=1S/C19H17ClN8/c20-18-24-16(26-9-11-27(12-10-26)19-21-7-4-8-22-19)15-13-23-28(17(15)25-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2