(1R,4R,6R,7R)-4-(phenylmethoxymethyl)-6-[6-[(phenylmethyl)amino]purin-9-yl]-5-oxa-2-thiabicyclo[2.2.1]heptan-7-ol

Systemtic Name: (1R,4R,6R,7R)-4-(phenylmethoxymethyl)-6-[6-[(phenylmethyl)amino]purin-9-yl]-5-oxa-2-thiabicyclo[2.2.1]heptan-7-ol Openeye Name: (1R,4R,6R,7R)-6-[6-(benzylamino)purin-9-yl]-4-(benzyloxymethyl)-5-oxa-2-thiabicyclo[2.2.1]heptan-7-ol CAS Name: (1R,4R,6R,7R)-4-(phenylmethoxymethyl)-6-[6-[(phenylmethyl)amino]-9-purinyl]-5-oxa-2-thiabicyclo[2.2.1]heptan-7-ol IUPAC Name: (1R,4R,6R,7R)-6-[6-(benzylamino)purin-9-yl]-4-(phenylmethoxymethyl)-5-oxa-2-thiabicyclo[2.2.1]heptan-7-ol Traditional Name: (1R,4R,6R,7R)-4-(benzoxymethyl)-6-[6-(benzylamino)purin-9-yl]-5-oxa-2-thiabicyclo[2.2.1]heptan-7-ol Formula: C25H25N5O3S MolecularWeight: 475.5627

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Descriptors Computed from Structure

Canonical SMILES:

C1C2(C(C(S1)C(O2)N3C=NC4=C3N=CN=C4NCC5=CC=CC=C5)O)COCC6=CC=CC=C6

Isomeric SMILES

C1[C@]2([C@H]([C@@H](S1)[C@@H](O2)N3C=NC4=C3N=CN=C4NCC5=CC=CC=C5)O)COCC6=CC=CC=C6

InChI

InChI=1S/C25H25N5O3S/c31-21-20-24(33-25(21,14-34-20)13-32-12-18-9-5-2-6-10-18)30-16-29-19-22(27-15-28-23(19)30)26-11-17-7-3-1-4-8-17/h1-10,15-16,20-21,24,31H,11-14H2,(H,26,27,28)/t20-,21+,24-,25+/m1/s1