N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)amine Formula: C20H17N5O2 MolecularWeight: 359.38128

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC3=NC=NC4=C3C=NN4CC5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC3=NC=NC4=C3C=NN4CC5=CC=CC=C5

InChI

InChI=1S/C20H17N5O2/c1-2-4-14(5-3-1)12-25-20-16(11-23-25)19(21-13-22-20)24-15-6-7-17-18(10-15)27-9-8-26-17/h1-7,10-11,13H,8-9,12H2,(H,21,22,24)