2-azanyl-9-[(2R,3R,4S,5R)-2-(hydroxymethyl)-3,4-bis(oxidanyl)-5-(phenylmethoxymethyl)oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(2R,3R,4S,5R)-2-(hydroxymethyl)-3,4-bis(oxidanyl)-5-(phenylmethoxymethyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(2R,3R,4S,5R)-5-(benzyloxymethyl)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(phenylmethoxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(2R,3R,4S,5R)-5-(benzoxymethyl)-3,4-dihydroxy-2-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C18H21N5O6 MolecularWeight: 403.38924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C(C(C(O2)(CO)N3C=NC4=C3NC(=NC4=O)N)O)O

Isomeric SMILES

C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@H]([C@](O2)(CO)N3C=NC4=C3NC(=NC4=O)N)O)O

InChI

InChI=1S/C18H21N5O6/c19-17-21-15-12(16(27)22-17)20-9-23(15)18(8-24)14(26)13(25)11(29-18)7-28-6-10-4-2-1-3-5-10/h1-5,9,11,13-14,24-26H,6-8H2,(H3,19,21,22,27)/t11-,13-,14-,18-/m1/s1