(2R,3R,4S,5R)-2-[2-(aminomethyl)-6-(2,2-diphenylethylamino)purin-9-yl]-5-(5-ethyl-1,2,4-oxadiazol-3-yl)oxolane-3,4-diol

Systemtic Name: (2R,3R,4S,5R)-2-[2-(aminomethyl)-6-(2,2-diphenylethylamino)purin-9-yl]-5-(5-ethyl-1,2,4-oxadiazol-3-yl)oxolane-3,4-diol Openeye Name: (2R,3R,4S,5R)-2-[2-(aminomethyl)-6-(2,2-diphenylethylamino)purin-9-yl]-5-(5-ethyl-1,2,4-oxadiazol-3-yl)tetrahydrofuran-3,4-diol CAS Name: (2R,3R,4S,5R)-2-[2-(aminomethyl)-6-(2,2-diphenylethylamino)-9-purinyl]-5-(5-ethyl-1,2,4-oxadiazol-3-yl)oxolane-3,4-diol IUPAC Name: (2R,3R,4S,5R)-2-[2-(aminomethyl)-6-(2,2-diphenylethylamino)purin-9-yl]-5-(5-ethyl-1,2,4-oxadiazol-3-yl)oxolane-3,4-diol Traditional Name: (2R,3R,4S,5R)-2-[2-(aminomethyl)-6-(2,2-diphenylethylamino)purin-9-yl]-5-(5-ethyl-1,2,4-oxadiazol-3-yl)tetrahydrofuran-3,4-diol Formula: C28H30N8O4 MolecularWeight: 542.589

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NO1)C2C(C(C(O2)N3C=NC4=C3N=C(N=C4NCC(C5=CC=CC=C5)C6=CC=CC=C6)CN)O)O

Isomeric SMILES

CCC1=NC(=NO1)[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(N=C4NCC(C5=CC=CC=C5)C6=CC=CC=C6)CN)O)O

InChI

InChI=1S/C28H30N8O4/c1-2-20-34-26(35-40-20)24-22(37)23(38)28(39-24)36-15-31-21-25(32-19(13-29)33-27(21)36)30-14-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18,22-24,28,37-38H,2,13-14,29H2,1H3,(H,30,32,33)/t22-,23+,24-,28+/m0/s1