6-(azepan-1-yl)-1-methyl-N-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 6-(azepan-1-yl)-1-methyl-N-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-benzyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-1-methyl-N-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-benzyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]-benzyl-amine Formula: C19H24N6 MolecularWeight: 336.43406

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)N3CCCCCC3)NCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)N3CCCCCC3)NCC4=CC=CC=C4

InChI

InChI=1S/C19H24N6/c1-24-18-16(14-21-24)17(20-13-15-9-5-4-6-10-15)22-19(23-18)25-11-7-2-3-8-12-25/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3,(H,20,22,23)