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

Systemtic Name: 2-azanyl-9-[(2S,3S,4R,5R)-4,5-bis(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(2S,3S,4R,5R)-3-hydroxy-4,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(2S,3S,4R,5R)-3-hydroxy-4,5-bis(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(2S,3S,4R,5R)-3-hydroxy-4,5-bis(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(2S,3S,4R,5R)-3-hydroxy-4,5-dimethylol-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C11H15N5O5 MolecularWeight: 297.2673

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)CO)CO)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1[C@@H]3[C@H]([C@H]([C@@H](O3)CO)CO)O)NC(=NC2=O)N

InChI

InChI=1S/C11H15N5O5/c12-11-14-8-6(9(20)15-11)13-3-16(8)10-7(19)4(1-17)5(2-18)21-10/h3-5,7,10,17-19H,1-2H2,(H3,12,14,15,20)/t4-,5-,7-,10-/m0/s1