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

Systemtic Name: 2-azanyl-9-[(1R,3S)-3-(hydroxymethyl)-2-methylidene-cyclobutyl]-3H-purin-6-one Openeye Name: 2-amino-9-[(1R,3S)-3-(hydroxymethyl)-2-methylene-cyclobutyl]-3H-purin-6-one CAS Name: 2-amino-9-[(1R,3S)-3-(hydroxymethyl)-2-methylenecyclobutyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1R,3S)-3-(hydroxymethyl)-2-methylidenecyclobutyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(1R,3S)-2-methylene-3-methylol-cyclobutyl]-3H-purin-6-one Formula: C11H13N5O2 MolecularWeight: 247.25322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C=C1[C@H](C[C@H]1N2C=NC3=C2NC(=NC3=O)N)CO

InChI

InChI=1S/C11H13N5O2/c1-5-6(3-17)2-7(5)16-4-13-8-9(16)14-11(12)15-10(8)18/h4,6-7,17H,1-3H2,(H3,12,14,15,18)/t6-,7-/m1/s1