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

Systemtic Name: 9-[(2R,4S,5S)-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolan-2-yl]purin-6-amine Openeye Name: 9-[(2R,4S,5S)-4-benzyloxy-5-(benzyloxymethyl)tetrahydrothiophen-2-yl]purin-6-amine CAS Name: 9-[(2R,4S,5S)-4-phenylmethoxy-5-(phenylmethoxymethyl)-2-thiolanyl]-6-purinamine IUPAC Name: 9-[(2R,4S,5S)-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolan-2-yl]purin-6-amine Traditional Name: [9-[(2R,4S,5S)-4-benzoxy-5-(benzoxymethyl)tetrahydrothiophen-2-yl]purin-6-yl]amine Formula: C24H25N5O2S MolecularWeight: 447.5526

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(SC1N2C=NC3=C2N=CN=C3N)COCC4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1[C@@H]([C@@H](S[C@H]1N2C=NC3=C2N=CN=C3N)COCC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C24H25N5O2S/c25-23-22-24(27-15-26-23)29(16-28-22)21-11-19(31-13-18-9-5-2-6-10-18)20(32-21)14-30-12-17-7-3-1-4-8-17/h1-10,15-16,19-21H,11-14H2,(H2,25,26,27)/t19-,20-,21+/m0/s1