2-azanyl-9-[(3R,5S,6R)-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(3R,5S,6R)-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(3R,5S,6R)-5-benzyloxy-6-(benzyloxymethyl)tetrahydropyran-3-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(3R,5S,6R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-oxanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(3R,5S,6R)-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(3R,5S,6R)-5-benzoxy-6-(benzoxymethyl)tetrahydropyran-3-yl]-3H-purin-6-one Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC(C1OCC2=CC=CC=C2)COCC3=CC=CC=C3)N4C=NC5=C4NC(=NC5=O)N

Isomeric SMILES

C1[C@H](CO[C@@H]([C@H]1OCC2=CC=CC=C2)COCC3=CC=CC=C3)N4C=NC5=C4NC(=NC5=O)N

InChI

InChI=1S/C25H27N5O4/c26-25-28-23-22(24(31)29-25)27-16-30(23)19-11-20(33-13-18-9-5-2-6-10-18)21(34-14-19)15-32-12-17-7-3-1-4-8-17/h1-10,16,19-21H,11-15H2,(H3,26,28,29,31)/t19-,20+,21-/m1/s1