9-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)thiolan-2-yl]purin-6-amine

Systemtic Name: 9-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)thiolan-2-yl]purin-6-amine Openeye Name: 9-[3,4-dibenzyloxy-5-(benzyloxymethyl)tetrahydrothiophen-2-yl]purin-6-amine CAS Name: 9-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-2-thiolanyl]-6-purinamine IUPAC Name: 9-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)thiolan-2-yl]purin-6-amine Traditional Name: [9-[3,4-dibenzoxy-5-(benzoxymethyl)tetrahydrothiophen-2-yl]purin-6-yl]amine Formula: C31H31N5O3S MolecularWeight: 553.67454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C(C(C(S2)N3C=NC4=C3N=CN=C4N)OCC5=CC=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)COCC2C(C(C(S2)N3C=NC4=C3N=CN=C4N)OCC5=CC=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C31H31N5O3S/c32-29-26-30(34-20-33-29)36(21-35-26)31-28(39-18-24-14-8-3-9-15-24)27(38-17-23-12-6-2-7-13-23)25(40-31)19-37-16-22-10-4-1-5-11-22/h1-15,20-21,25,27-28,31H,16-19H2,(H2,32,33,34)