2-azanyl-9-[[1-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-2-oxidanyl-ethoxy]methyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[[1-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-2-oxidanyl-ethoxy]methyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[2-hydroxy-1-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[2-hydroxy-1-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]ethoxy]methyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[2-hydroxy-1-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]ethoxy]methyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[2-hydroxy-1-[(1S,2S)-2-methylolcyclopropyl]ethoxy]methyl]-3H-purin-6-one Formula: C12H17N5O4 MolecularWeight: 295.29448

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C(CO)OCN2C=NC3=C2NC(=NC3=O)N)CO

Isomeric SMILES

C1[C@@H]([C@H]1C(CO)OCN2C=NC3=C2NC(=NC3=O)N)CO

InChI

InChI=1S/C12H17N5O4/c13-12-15-10-9(11(20)16-12)14-4-17(10)5-21-8(3-19)7-1-6(7)2-18/h4,6-8,18-19H,1-3,5H2,(H3,13,15,16,20)/t6-,7+,8?/m1/s1