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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C20H17N5O2/c1-13-2-5-15(6-3-13)25-20-16(11-23-25)19(21-12-22-20)24-14-4-7-17-18(10-14)27-9-8-26-17/h2-7,10-12H,8-9H2,1H3,(H,21,22,24)