1-[4-(4-chloranyl-3-methoxy-phenyl)piperazin-1-yl]-2-pyrazolo[3,4-d]pyrimidin-1-yl-ethanone

Systemtic Name: 1-[4-(4-chloranyl-3-methoxy-phenyl)piperazin-1-yl]-2-pyrazolo[3,4-d]pyrimidin-1-yl-ethanone Openeye Name: 1-[4-(4-chloro-3-methoxy-phenyl)piperazin-1-yl]-2-pyrazolo[3,4-d]pyrimidin-1-yl-ethanone CAS Name: 1-[4-(4-chloro-3-methoxyphenyl)-1-piperazinyl]-2-(1-pyrazolo[3,4-d]pyrimidinyl)ethanone IUPAC Name: 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[3,4-d]pyrimidin-1-ylethanone Traditional Name: 1-[4-(4-chloro-3-methoxy-phenyl)piperazino]-2-pyrazolo[3,4-d]pyrimidin-1-yl-ethanone Formula: C18H19ClN6O2 MolecularWeight: 386.83546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2CCN(CC2)C(=O)CN3C4=NC=NC=C4C=N3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)N2CCN(CC2)C(=O)CN3C4=NC=NC=C4C=N3)Cl

InChI

InChI=1S/C18H19ClN6O2/c1-27-16-8-14(2-3-15(16)19)23-4-6-24(7-5-23)17(26)11-25-18-13(10-22-25)9-20-12-21-18/h2-3,8-10,12H,4-7,11H2,1H3