N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-methyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amine Formula: C16H16ClN5O2 MolecularWeight: 345.78354

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)NCC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)NCC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C16H16ClN5O2/c1-22-16-11(8-21-22)15(19-9-20-16)18-7-10-5-12(17)14-13(6-10)23-3-2-4-24-14/h5-6,8-9H,2-4,7H2,1H3,(H,18,19,20)