N-[6-(4-chlorophenyl)sulfanyl-9-[3-(phenylmethoxymethyl)cyclobutyl]purin-2-yl]-2-phenyl-ethanamide

Systemtic Name: N-[6-(4-chlorophenyl)sulfanyl-9-[3-(phenylmethoxymethyl)cyclobutyl]purin-2-yl]-2-phenyl-ethanamide Openeye Name: N-[9-[3-(benzyloxymethyl)cyclobutyl]-6-(4-chlorophenyl)sulfanyl-purin-2-yl]-2-phenyl-acetamide CAS Name: N-[6-[(4-chlorophenyl)thio]-9-[3-(phenylmethoxymethyl)cyclobutyl]-2-purinyl]-2-phenylacetamide IUPAC Name: N-[6-(4-chlorophenyl)sulfanyl-9-[3-(phenylmethoxymethyl)cyclobutyl]purin-2-yl]-2-phenylacetamide Traditional Name: N-[9-[3-(benzoxymethyl)cyclobutyl]-6-[(4-chlorophenyl)thio]purin-2-yl]-2-phenyl-acetamide Formula: C31H28ClN5O2S MolecularWeight: 570.10432

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC1N2C=NC3=C2N=C(N=C3SC4=CC=C(C=C4)Cl)NC(=O)CC5=CC=CC=C5)COCC6=CC=CC=C6

Isomeric SMILES

C1C(CC1N2C=NC3=C2N=C(N=C3SC4=CC=C(C=C4)Cl)NC(=O)CC5=CC=CC=C5)COCC6=CC=CC=C6

InChI

InChI=1S/C31H28ClN5O2S/c32-24-11-13-26(14-12-24)40-30-28-29(35-31(36-30)34-27(38)17-21-7-3-1-4-8-21)37(20-33-28)25-15-23(16-25)19-39-18-22-9-5-2-6-10-22/h1-14,20,23,25H,15-19H2,(H,34,35,36,38)