(1R,4S,5S)-5-(6-chloranylpurin-9-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)cyclopent-2-en-1-ol

Systemtic Name: (1R,4S,5S)-5-(6-chloranylpurin-9-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)cyclopent-2-en-1-ol Openeye Name: (1R,4S,5S)-4-benzyloxy-2-(benzyloxymethyl)-5-(6-chloropurin-9-yl)cyclopent-2-en-1-ol CAS Name: (1R,4S,5S)-5-(6-chloro-9-purinyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)-1-cyclopent-2-enol IUPAC Name: (1R,4S,5S)-5-(6-chloropurin-9-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)cyclopent-2-en-1-ol Traditional Name: (1R,4S,5S)-4-benzoxy-2-(benzoxymethyl)-5-(6-chloropurin-9-yl)cyclopent-2-en-1-ol Formula: C25H23ClN4O3 MolecularWeight: 462.92812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2=CC(C(C2O)N3C=NC4=C3N=CN=C4Cl)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COCC2=C[C@@H]([C@H]([C@@H]2O)N3C=NC4=C3N=CN=C4Cl)OCC5=CC=CC=C5

InChI

InChI=1S/C25H23ClN4O3/c26-24-21-25(28-15-27-24)30(16-29-21)22-20(33-13-18-9-5-2-6-10-18)11-19(23(22)31)14-32-12-17-7-3-1-4-8-17/h1-11,15-16,20,22-23,31H,12-14H2/t20-,22+,23+/m0/s1