1-[4-[[[9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]methyl]phenyl]ethanone

Systemtic Name: 1-[4-[[[9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]methyl]phenyl]ethanone Openeye Name: 1-[4-[[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]methyl]phenyl]ethanone CAS Name: 1-[4-[[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]amino]methyl]phenyl]ethanone IUPAC Name: 1-[4-[[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]methyl]phenyl]ethanone Traditional Name: 1-[4-[[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]purin-6-yl]amino]methyl]phenyl]ethanone Formula: C19H21N5O5 MolecularWeight: 399.40054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)CNC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)CNC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O

InChI

InChI=1S/C19H21N5O5/c1-10(26)12-4-2-11(3-5-12)6-20-17-14-18(22-8-21-17)24(9-23-14)19-16(28)15(27)13(7-25)29-19/h2-5,8-9,13,15-16,19,25,27-28H,6-7H2,1H3,(H,20,21,22)/t13-,15-,16-,19-/m1/s1