6-[4-(dimethylaminomethyl)phenyl]-N-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 6-[4-(dimethylaminomethyl)phenyl]-N-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-(4-benzyloxyphenyl)-6-[4-(dimethylaminomethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 6-[4-(dimethylaminomethyl)phenyl]-N-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine IUPAC Name: 6-[4-(dimethylaminomethyl)phenyl]-N-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [4-[4-(4-benzoxyanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzyl]-dimethyl-amine Formula: C28H27N5O MolecularWeight: 449.54688

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)C2=CC3=C(N2)N=CN=C3NC4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)C2=CC3=C(N2)N=CN=C3NC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C28H27N5O/c1-33(2)17-20-8-10-22(11-9-20)26-16-25-27(29-19-30-28(25)32-26)31-23-12-14-24(15-13-23)34-18-21-6-4-3-5-7-21/h3-16,19H,17-18H2,1-2H3,(H2,29,30,31,32)