3-(1-benzofuran-2-yl)-N-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 3-(1-benzofuran-2-yl)-N-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-(benzofuran-2-yl)-N-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 3-(2-benzofuranyl)-N-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine IUPAC Name: 3-(1-benzofuran-2-yl)-N-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [3-(benzofuran-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-(3,4-dimethoxyphenyl)amine Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC=NC3=NNC(=C32)C4=CC5=CC=CC=C5O4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC=NC3=NNC(=C32)C4=CC5=CC=CC=C5O4)OC

InChI

InChI=1S/C21H17N5O3/c1-27-15-8-7-13(10-16(15)28-2)24-20-18-19(25-26-21(18)23-11-22-20)17-9-12-5-3-4-6-14(12)29-17/h3-11H,1-2H3,(H2,22,23,24,25,26)