N-[9-[(2R,3R,4R,5R)-3-[1-(4-chlorophenyl)-4-ethoxy-piperidin-4-yl]oxy-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-oxidanylidene-3H-purin-2-yl]-2-phenyl-ethanamide

Systemtic Name: N-[9-[(2R,3R,4R,5R)-3-[1-(4-chlorophenyl)-4-ethoxy-piperidin-4-yl]oxy-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-oxidanylidene-3H-purin-2-yl]-2-phenyl-ethanamide Openeye Name: N-[9-[(2R,3R,4R,5R)-3-[[1-(4-chlorophenyl)-4-ethoxy-4-piperidyl]oxy]-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-oxo-3H-purin-2-yl]-2-phenyl-acetamide CAS Name: N-[9-[(2R,3R,4R,5R)-3-[[1-(4-chlorophenyl)-4-ethoxy-4-piperidinyl]oxy]-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-oxo-3H-purin-2-yl]-2-phenylacetamide IUPAC Name: N-[9-[(2R,3R,4R,5R)-3-[1-(4-chlorophenyl)-4-ethoxypiperidin-4-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-3H-purin-2-yl]-2-phenylacetamide Traditional Name: N-[9-[(2R,3R,4R,5R)-3-[[1-(4-chlorophenyl)-4-ethoxy-4-piperidyl]oxy]-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-6-keto-3H-purin-2-yl]-2-phenyl-acetamide Formula: C31H35ClN6O7 MolecularWeight: 639.0986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(CCN(CC1)C2=CC=C(C=C2)Cl)OC3C(C(OC3N4C=NC5=C4NC(=NC5=O)NC(=O)CC6=CC=CC=C6)CO)O

Isomeric SMILES

CCOC1(CCN(CC1)C2=CC=C(C=C2)Cl)O[C@@H]3[C@@H]([C@H](O[C@H]3N4C=NC5=C4NC(=NC5=O)NC(=O)CC6=CC=CC=C6)CO)O

InChI

InChI=1S/C31H35ClN6O7/c1-2-43-31(12-14-37(15-13-31)21-10-8-20(32)9-11-21)45-26-25(41)22(17-39)44-29(26)38-18-33-24-27(38)35-30(36-28(24)42)34-23(40)16-19-6-4-3-5-7-19/h3-11,18,22,25-26,29,39,41H,2,12-17H2,1H3,(H2,34,35,36,40,42)/t22-,25-,26-,29-/m1/s1