5-[3-(4-phenylmethoxyphenyl)propyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Systemtic Name: 5-[3-(4-phenylmethoxyphenyl)propyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Openeye Name: 5-[3-(4-benzyloxyphenyl)propyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine CAS Name: 5-[3-(4-phenylmethoxyphenyl)propyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 5-[3-(4-phenylmethoxyphenyl)propyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-(4-benzoxyphenyl)propyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C22H23N5O MolecularWeight: 373.45092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CCCC3=CNC4=C3C(=NC(=N4)N)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)CCCC3=CNC4=C3C(=NC(=N4)N)N

InChI

InChI=1S/C22H23N5O/c23-20-19-17(13-25-21(19)27-22(24)26-20)8-4-7-15-9-11-18(12-10-15)28-14-16-5-2-1-3-6-16/h1-3,5-6,9-13H,4,7-8,14H2,(H5,23,24,25,26,27)