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

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

C1CC(NC1)CN2C3=C(C(=N2)C4=CC(=C(C=C4)Cl)O)C(=NC=N3)N

Isomeric SMILES

C1CC(NC1)CN2C3=C(C(=N2)C4=CC(=C(C=C4)Cl)O)C(=NC=N3)N

InChI

InChI=1S/C16H17ClN6O/c17-11-4-3-9(6-12(11)24)14-13-15(18)20-8-21-16(13)23(22-14)7-10-2-1-5-19-10/h3-4,6,8,10,19,24H,1-2,5,7H2,(H2,18,20,21)