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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(3-iodanylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(3-iodophenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(3-iodophenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(3-iodophenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(3-iodophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-veratryl-amine Formula: C20H18IN5O2 MolecularWeight: 487.29369

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC=NC3=C2C=NN3C4=CC(=CC=C4)I)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC=NC3=C2C=NN3C4=CC(=CC=C4)I)OC

InChI

InChI=1S/C20H18IN5O2/c1-27-17-7-6-13(8-18(17)28-2)10-22-19-16-11-25-26(20(16)24-12-23-19)15-5-3-4-14(21)9-15/h3-9,11-12H,10H2,1-2H3,(H,22,23,24)