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

Systemtic Name: N-[(3,4-diethoxyphenyl)methyl]-1-(3-iodanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-[(3,4-diethoxyphenyl)methyl]-1-(3-iodophenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-[(3,4-diethoxyphenyl)methyl]-1-(3-iodophenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-[(3,4-diethoxyphenyl)methyl]-1-(3-iodophenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (3,4-diethoxybenzyl)-[1-(3-iodophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C22H22IN5O2 MolecularWeight: 515.34685

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC2=NC=NC3=C2C=NN3C4=CC(=CC=C4)I)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC2=NC=NC3=C2C=NN3C4=CC(=CC=C4)I)OCC

InChI

InChI=1S/C22H22IN5O2/c1-3-29-19-9-8-15(10-20(19)30-4-2)12-24-21-18-13-27-28(22(18)26-14-25-21)17-7-5-6-16(23)11-17/h5-11,13-14H,3-4,12H2,1-2H3,(H,24,25,26)