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

Systemtic Name: 2-azanyl-9-[(2R,3R,4R,5S)-5-(hydroxymethyl)-4-oxidanyl-3-phosphonato-oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(2R,3R,4R,5S)-4-hydroxy-5-(hydroxymethyl)-3-phosphonato-tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(2R,3R,4R,5S)-4-hydroxy-5-(hydroxymethyl)-3-phosphonato-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(2R,3R,4R,5S)-4-hydroxy-5-(hydroxymethyl)-3-phosphonatooxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(2R,3R,4R,5S)-4-hydroxy-5-methylol-3-phosphonato-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C10H12N5O7P-2 MolecularWeight: 345.205341

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)CO)O)P(=O)([O-])[O-])NC(=NC2=O)N

Isomeric SMILES

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

InChI

InChI=1S/C10H14N5O7P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(23(19,20)21)5(17)3(1-16)22-9/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5+,6+,9+/m0/s1