6-(4-chlorophenyl)sulfanyl-9-[3-(phenylmethoxymethyl)cyclobutyl]purine

Systemtic Name: 6-(4-chlorophenyl)sulfanyl-9-[3-(phenylmethoxymethyl)cyclobutyl]purine Openeye Name: 9-[3-(benzyloxymethyl)cyclobutyl]-6-(4-chlorophenyl)sulfanyl-purine CAS Name: 6-[(4-chlorophenyl)thio]-9-[3-(phenylmethoxymethyl)cyclobutyl]purine IUPAC Name: 6-(4-chlorophenyl)sulfanyl-9-[3-(phenylmethoxymethyl)cyclobutyl]purine Traditional Name: 9-[3-(benzoxymethyl)cyclobutyl]-6-[(4-chlorophenyl)thio]purine Formula: C23H21ClN4OS MolecularWeight: 436.95704

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC1N2C=NC3=C2N=CN=C3SC4=CC=C(C=C4)Cl)COCC5=CC=CC=C5

Isomeric SMILES

C1C(CC1N2C=NC3=C2N=CN=C3SC4=CC=C(C=C4)Cl)COCC5=CC=CC=C5

InChI

InChI=1S/C23H21ClN4OS/c24-18-6-8-20(9-7-18)30-23-21-22(25-14-26-23)28(15-27-21)19-10-17(11-19)13-29-12-16-4-2-1-3-5-16/h1-9,14-15,17,19H,10-13H2