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

Systemtic Name: 5-[4-azanyl-1-(pyrrolidin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-chloranyl-phenol Openeye Name: 5-[4-amino-1-(pyrrolidin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-chloro-phenol CAS Name: 5-[4-amino-1-(3-pyrrolidinylmethyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-chlorophenol IUPAC Name: 5-[4-amino-1-(pyrrolidin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-chlorophenol Traditional Name: 5-[4-amino-1-(pyrrolidin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-chloro-phenol Formula: C16H17ClN6O MolecularWeight: 344.79878

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1CN2C3=C(C(=N2)C4=CC(=C(C=C4)Cl)O)C(=NC=N3)N

Isomeric SMILES

C1CNCC1CN2C3=C(C(=N2)C4=CC(=C(C=C4)Cl)O)C(=NC=N3)N

InChI

InChI=1S/C16H17ClN6O/c17-11-2-1-10(5-12(11)24)14-13-15(18)20-8-21-16(13)23(22-14)7-9-3-4-19-6-9/h1-2,5,8-9,19,24H,3-4,6-7H2,(H2,18,20,21)