5-[4-azanyl-1-(2-piperidin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-chloranyl-phenol

Systemtic Name: 5-[4-azanyl-1-(2-piperidin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-chloranyl-phenol Openeye Name: 5-[4-amino-1-[2-(4-piperidyl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-chloro-phenol CAS Name: 5-[4-amino-1-[2-(4-piperidinyl)ethyl]-3-pyrazolo[3,4-d]pyrimidinyl]-2-chlorophenol IUPAC Name: 5-[4-amino-1-(2-piperidin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-chlorophenol Traditional Name: 5-[4-amino-1-[2-(4-piperidyl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-chloro-phenol Formula: C18H21ClN6O MolecularWeight: 372.85194

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCN2C3=C(C(=N2)C4=CC(=C(C=C4)Cl)O)C(=NC=N3)N

Isomeric SMILES

C1CNCCC1CCN2C3=C(C(=N2)C4=CC(=C(C=C4)Cl)O)C(=NC=N3)N

InChI

InChI=1S/C18H21ClN6O/c19-13-2-1-12(9-14(13)26)16-15-17(20)22-10-23-18(15)25(24-16)8-5-11-3-6-21-7-4-11/h1-2,9-11,21,26H,3-8H2,(H2,20,22,23)