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

Systemtic Name: 9-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)thiolan-2-yl]purine-2,6-diamine Openeye Name: 9-[3,4-dibenzyloxy-5-(benzyloxymethyl)tetrahydrothiophen-2-yl]purine-2,6-diamine CAS Name: 9-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-2-thiolanyl]purine-2,6-diamine IUPAC Name: 9-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)thiolan-2-yl]purine-2,6-diamine Traditional Name: [2-amino-9-[3,4-dibenzoxy-5-(benzoxymethyl)tetrahydrothiophen-2-yl]purin-6-yl]amine Formula: C31H32N6O3S MolecularWeight: 568.68918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H32N6O3S/c32-28-25-29(36-31(33)35-28)37(20-34-25)30-27(40-18-23-14-8-3-9-15-23)26(39-17-22-12-6-2-7-13-22)24(41-30)19-38-16-21-10-4-1-5-11-21/h1-15,20,24,26-27,30H,16-19H2,(H4,32,33,35,36)