2-azanyl-9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-7-methyl-3H-purin-9-ium-6-one

Systemtic Name: 2-azanyl-9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-7-methyl-3H-purin-9-ium-6-one Openeye Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7-methyl-3H-purin-9-ium-6-one CAS Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-7-methyl-3H-purin-9-ium-6-one IUPAC Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-3H-purin-9-ium-6-one Traditional Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-7-methyl-3H-purin-9-ium-6-one Formula: C11H16N5O4+ MolecularWeight: 282.27584

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C2=C1C(=O)N=C(N2)N)C3CC(C(O3)CO)O

Isomeric SMILES

CN1C=[N+](C2=C1C(=O)N=C(N2)N)[C@H]3C[C@@H]([C@H](O3)CO)O

InChI

InChI=1S/C11H15N5O4/c1-15-4-16(7-2-5(18)6(3-17)20-7)9-8(15)10(19)14-11(12)13-9/h4-7,17-18H,2-3H2,1H3,(H2-,12,13,14,19)/p+1/t5-,6+,7+/m0/s1