9-[(2S,4S,5S)-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolan-2-yl]-3H-purin-6-one

Systemtic Name: 9-[(2S,4S,5S)-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolan-2-yl]-3H-purin-6-one Openeye Name: 9-[(2S,4S,5S)-4-benzyloxy-5-(benzyloxymethyl)tetrahydrothiophen-2-yl]-3H-purin-6-one CAS Name: 9-[(2S,4S,5S)-4-phenylmethoxy-5-(phenylmethoxymethyl)-2-thiolanyl]-3H-purin-6-one IUPAC Name: 9-[(2S,4S,5S)-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolan-2-yl]-3H-purin-6-one Traditional Name: 9-[(2S,4S,5S)-4-benzoxy-5-(benzoxymethyl)tetrahydrothiophen-2-yl]-3H-purin-6-one Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(SC1N2C=NC3=C2NC=NC3=O)COCC4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1[C@@H]([C@@H](S[C@@H]1N2C=NC3=C2NC=NC3=O)COCC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C24H24N4O3S/c29-24-22-23(25-15-26-24)28(16-27-22)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,(H,25,26,29)/t19-,20-,21-/m0/s1