N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-amine

Systemtic Name: N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-amine Openeye Name: N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-amine CAS Name: N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)-6-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-amine Traditional Name: (2,2-dimethyl-1,3-benzodioxol-5-yl)-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2=C(O1)C=C(C=C2)NC3=NC=C4C=NN(C4=N3)C5=CC=C(C=C5)OC)C

Isomeric SMILES

CC1(OC2=C(O1)C=C(C=C2)NC3=NC=C4C=NN(C4=N3)C5=CC=C(C=C5)OC)C

InChI

InChI=1S/C21H19N5O3/c1-21(2)28-17-9-4-14(10-18(17)29-21)24-20-22-11-13-12-23-26(19(13)25-20)15-5-7-16(27-3)8-6-15/h4-12H,1-3H3,(H,22,24,25)