6-chloranyl-9-[4-phenylmethoxy-3-(phenylmethoxymethyl)butyl]purine

Systemtic Name: 6-chloranyl-9-[4-phenylmethoxy-3-(phenylmethoxymethyl)butyl]purine Openeye Name: 9-[4-benzyloxy-3-(benzyloxymethyl)butyl]-6-chloro-purine CAS Name: 6-chloro-9-[4-phenylmethoxy-3-(phenylmethoxymethyl)butyl]purine IUPAC Name: 6-chloro-9-[4-phenylmethoxy-3-(phenylmethoxymethyl)butyl]purine Traditional Name: 9-[4-benzoxy-3-(benzoxymethyl)butyl]-6-chloro-purine Formula: C24H25ClN4O2 MolecularWeight: 436.9339

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(CCN2C=NC3=C2N=CN=C3Cl)COCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COCC(CCN2C=NC3=C2N=CN=C3Cl)COCC4=CC=CC=C4

InChI

InChI=1S/C24H25ClN4O2/c25-23-22-24(27-17-26-23)29(18-28-22)12-11-21(15-30-13-19-7-3-1-4-8-19)16-31-14-20-9-5-2-6-10-20/h1-10,17-18,21H,11-16H2