2-azanyl-9-[(1R,2R,3S)-2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(1R,2R,3S)-2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]-3H-purin-6-one Openeye Name: 2-amino-9-[(1R,2R,3S)-2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]-3H-purin-6-one CAS Name: 2-amino-9-[(1R,2R,3S)-2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1R,2R,3S)-2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(1R,2R,3S)-2-(1-hydroxyethyl)-3-methylol-cyclobutyl]-3H-purin-6-one Formula: C12H17N5O3 MolecularWeight: 279.29508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(CC1N2C=NC3=C2NC(=NC3=O)N)CO)O

Isomeric SMILES

CC([C@@H]1[C@H](C[C@H]1N2C=NC3=C2NC(=NC3=O)N)CO)O

InChI

InChI=1S/C12H17N5O3/c1-5(19)8-6(3-18)2-7(8)17-4-14-9-10(17)15-12(13)16-11(9)20/h4-8,18-19H,2-3H2,1H3,(H3,13,15,16,20)/t5?,6-,7-,8-/m1/s1