(2R,3R,4S,5R)-2-[2-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]-6-(phenethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: (2R,3R,4S,5R)-2-[2-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]-6-(phenethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: (2R,3R,4S,5R)-2-[2-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]-6-(phenethylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: (2R,3R,4S,5R)-2-[2-[3-[(4-chlorophenyl)methyl]-1-azetidinyl]-6-(phenethylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: (2R,3R,4S,5R)-2-[2-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]-6-(phenethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: (2R,3R,4S,5R)-2-[2-[3-(4-chlorobenzyl)azetidin-1-yl]-6-(phenethylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C28H31ClN6O4 MolecularWeight: 551.03654

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1C2=NC3=C(C(=N2)NCCC4=CC=CC=C4)N=CN3C5C(C(C(O5)CO)O)O)CC6=CC=C(C=C6)Cl

Isomeric SMILES

C1C(CN1C2=NC3=C(C(=N2)NCCC4=CC=CC=C4)N=CN3[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)CC6=CC=C(C=C6)Cl

InChI

InChI=1S/C28H31ClN6O4/c29-20-8-6-18(7-9-20)12-19-13-34(14-19)28-32-25(30-11-10-17-4-2-1-3-5-17)22-26(33-28)35(16-31-22)27-24(38)23(37)21(15-36)39-27/h1-9,16,19,21,23-24,27,36-38H,10-15H2,(H,30,32,33)/t21-,23-,24-,27-/m1/s1