1-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-methyl-N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-amine Formula: C18H19N5O2 MolecularWeight: 337.37576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)NC3=CC4=C(C=C3)OC5(O4)CCCCC5

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)NC3=CC4=C(C=C3)OC5(O4)CCCCC5

InChI

InChI=1S/C18H19N5O2/c1-23-17-13(10-21-23)16(19-11-20-17)22-12-5-6-14-15(9-12)25-18(24-14)7-3-2-4-8-18/h5-6,9-11H,2-4,7-8H2,1H3,(H,19,20,22)