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

Systemtic Name: 2-azanyl-9-[(2R,3R,4S)-4-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(2R,3R,4S)-3-hydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(2R,3R,4S)-3-hydroxy-4-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(2R,3R,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(2R,3R,4S)-3-hydroxy-4-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C10H13N5O4 MolecularWeight: 267.24132

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)O)CO

Isomeric SMILES

C1[C@@H]([C@H]([C@@H](O1)N2C=NC3=C2NC(=NC3=O)N)O)CO

InChI

InChI=1S/C10H13N5O4/c11-10-13-7-5(8(18)14-10)12-3-15(7)9-6(17)4(1-16)2-19-9/h3-4,6,9,16-17H,1-2H2,(H3,11,13,14,18)/t4-,6+,9+/m0/s1