1-(3-iodanylphenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-(3-iodanylphenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-(3-iodophenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(3-iodophenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(3-iodophenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(3-iodophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-[4-(2-methoxyethoxy)benzyl]amine Formula: C21H20IN5O2 MolecularWeight: 501.32027

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC=C(C=C1)CNC2=NC=NC3=C2C=NN3C4=CC(=CC=C4)I

Isomeric SMILES

COCCOC1=CC=C(C=C1)CNC2=NC=NC3=C2C=NN3C4=CC(=CC=C4)I

InChI

InChI=1S/C21H20IN5O2/c1-28-9-10-29-18-7-5-15(6-8-18)12-23-20-19-13-26-27(21(19)25-14-24-20)17-4-2-3-16(22)11-17/h2-8,11,13-14H,9-10,12H2,1H3,(H,23,24,25)