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

Systemtic Name: 2-azanyl-9-[(2R,4S,5S)-4-ethanoyl-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 9-[(2R,4S,5S)-4-acetyl-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-amino-3H-purin-6-one CAS Name: 9-[(2R,4S,5S)-4-acetyl-5-(hydroxymethyl)-2-oxolanyl]-2-amino-3H-purin-6-one IUPAC Name: 9-[(2R,4S,5S)-4-acetyl-5-(hydroxymethyl)oxolan-2-yl]-2-amino-3H-purin-6-one Traditional Name: 9-[(2R,4S,5S)-4-acetyl-5-methylol-tetrahydrofuran-2-yl]-2-amino-3H-purin-6-one Formula: C12H15N5O4 MolecularWeight: 293.2786

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC(OC1CO)N2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

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

InChI

InChI=1S/C12H15N5O4/c1-5(19)6-2-8(21-7(6)3-18)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18H,2-3H2,1H3,(H3,13,15,16,20)/t6-,7-,8-/m1/s1