(3S,4S)-1-[6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]pyrrolidine-3,4-diol

Systemtic Name: (3S,4S)-1-[6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]pyrrolidine-3,4-diol Openeye Name: (3S,4S)-1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-(2,2-diphenylethylamino)purin-2-yl]pyrrolidine-3,4-diol CAS Name: (3S,4S)-1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-(2,2-diphenylethylamino)-2-purinyl]pyrrolidine-3,4-diol IUPAC Name: (3S,4S)-1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2,2-diphenylethylamino)purin-2-yl]pyrrolidine-3,4-diol Traditional Name: (3S,4S)-1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-6-(2,2-diphenylethylamino)purin-2-yl]pyrrolidine-3,4-diol Formula: C28H32N6O6 MolecularWeight: 548.59028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1C2=NC3=C(C(=N2)NCC(C4=CC=CC=C4)C5=CC=CC=C5)N=CN3C6C(C(C(O6)CO)O)O)O)O

Isomeric SMILES

C1[C@@H]([C@H](CN1C2=NC3=C(C(=N2)NCC(C4=CC=CC=C4)C5=CC=CC=C5)N=CN3[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)O)O

InChI

InChI=1S/C28H32N6O6/c35-14-21-23(38)24(39)27(40-21)34-15-30-22-25(31-28(32-26(22)34)33-12-19(36)20(37)13-33)29-11-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,18-21,23-24,27,35-39H,11-14H2,(H,29,31,32)/t19-,20-,21+,23+,24+,27+/m0/s1