(2S)-2-[[8-[(3-chloranylphenoxy)methyl]-2-phenyl-7H-purin-6-yl]amino]-2-phenyl-ethanol

Systemtic Name: (2S)-2-[[8-[(3-chloranylphenoxy)methyl]-2-phenyl-7H-purin-6-yl]amino]-2-phenyl-ethanol Openeye Name: (2S)-2-[[8-[(3-chlorophenoxy)methyl]-2-phenyl-7H-purin-6-yl]amino]-2-phenyl-ethanol CAS Name: (2S)-2-[[8-[(3-chlorophenoxy)methyl]-2-phenyl-7H-purin-6-yl]amino]-2-phenylethanol IUPAC Name: (2S)-2-[[8-[(3-chlorophenoxy)methyl]-2-phenyl-7H-purin-6-yl]amino]-2-phenylethanol Traditional Name: (2S)-2-[[8-[(3-chlorophenoxy)methyl]-2-phenyl-7H-purin-6-yl]amino]-2-phenyl-ethanol Formula: C26H22ClN5O2 MolecularWeight: 471.93818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C(=N2)NC(CO)C4=CC=CC=C4)NC(=N3)COC5=CC(=CC=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C(=N2)N[C@H](CO)C4=CC=CC=C4)NC(=N3)COC5=CC(=CC=C5)Cl

InChI

InChI=1S/C26H22ClN5O2/c27-19-12-7-13-20(14-19)34-16-22-29-23-25(28-21(15-33)17-8-3-1-4-9-17)31-24(32-26(23)30-22)18-10-5-2-6-11-18/h1-14,21,33H,15-16H2,(H2,28,29,30,31,32)/t21-/m1/s1