N-[(3S,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)thiolan-2-yl]-6-chloranyl-7H-purin-2-amine

Systemtic Name: N-[(3S,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)thiolan-2-yl]-6-chloranyl-7H-purin-2-amine Openeye Name: 6-chloro-N-[(3S,4S,5R)-3,4-dibenzyloxy-5-(benzyloxymethyl)tetrahydrothiophen-2-yl]-7H-purin-2-amine CAS Name: N-[(3S,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-2-thiolanyl]-6-chloro-7H-purin-2-amine IUPAC Name: N-[(3S,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)thiolan-2-yl]-6-chloro-7H-purin-2-amine Traditional Name: (6-chloro-7H-purin-2-yl)-[(3S,4S,5R)-3,4-dibenzoxy-5-(benzoxymethyl)tetrahydrothiophen-2-yl]amine Formula: C31H30ClN5O3S MolecularWeight: 588.1196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C(C(C(S2)NC3=NC4=C(C(=N3)Cl)NC=N4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H](C(S2)NC3=NC4=C(C(=N3)Cl)NC=N4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C31H30ClN5O3S/c32-28-25-29(34-20-33-25)36-31(35-28)37-30-27(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,(H2,33,34,35,36,37)/t24-,26-,27+,30?/m1/s1