N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]methanesulfonamide

Systemtic Name: N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]methanesulfonamide Openeye Name: N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]methanesulfonamide CAS Name: N-[2-[4-(1-azepanyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]methanesulfonamide IUPAC Name: N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]methanesulfonamide Traditional Name: N-[2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]methanesulfonamide Formula: C14H22N6O2S MolecularWeight: 338.42848

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCN1C2=C(C=N1)C(=NC=N2)N3CCCCCC3

Isomeric SMILES

CS(=O)(=O)NCCN1C2=C(C=N1)C(=NC=N2)N3CCCCCC3

InChI

InChI=1S/C14H22N6O2S/c1-23(21,22)18-6-9-20-14-12(10-17-20)13(15-11-16-14)19-7-4-2-3-5-8-19/h10-11,18H,2-9H2,1H3