3-ethoxy-N-[(2R,3R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-2-[6-[(phenylmethyl)amino]purin-9-yl]oxolan-3-yl]benzamide

Systemtic Name: 3-ethoxy-N-[(2R,3R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-2-[6-[(phenylmethyl)amino]purin-9-yl]oxolan-3-yl]benzamide Openeye Name: N-[(2R,3R,4S,5R)-2-[6-(benzylamino)purin-9-yl]-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]-3-ethoxy-benzamide CAS Name: 3-ethoxy-N-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-[6-[(phenylmethyl)amino]-9-purinyl]-3-oxolanyl]benzamide IUPAC Name: N-[(2R,3R,4S,5R)-2-[6-(benzylamino)purin-9-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-3-ethoxybenzamide Traditional Name: N-[(2R,3R,4S,5R)-2-[6-(benzylamino)purin-9-yl]-4-hydroxy-5-methylol-tetrahydrofuran-3-yl]-3-ethoxy-benzamide Formula: C26H28N6O5 MolecularWeight: 504.53772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC2C(C(OC2N3C=NC4=C3N=CN=C4NCC5=CC=CC=C5)CO)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C3N=CN=C4NCC5=CC=CC=C5)CO)O

InChI

InChI=1S/C26H28N6O5/c1-2-36-18-10-6-9-17(11-18)25(35)31-20-22(34)19(13-33)37-26(20)32-15-30-21-23(28-14-29-24(21)32)27-12-16-7-4-3-5-8-16/h3-11,14-15,19-20,22,26,33-34H,2,12-13H2,1H3,(H,31,35)(H,27,28,29)/t19-,20-,22-,26-/m1/s1