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

Systemtic Name: 2-azanyl-9-[(2R,4R,5S)-4-ethanimidoyl-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(2R,4R,5S)-4-ethanimidoyl-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(2R,4R,5S)-5-(hydroxymethyl)-4-(1-iminoethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(2R,4R,5S)-4-ethanimidoyl-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 9-[(2R,4R,5S)-4-acetimidoyl-5-methylol-tetrahydrofuran-2-yl]-2-amino-3H-purin-6-one Formula: C12H16N6O3 MolecularWeight: 292.29384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N6O3/c1-5(13)6-2-8(21-7(6)3-19)18-4-15-9-10(18)16-12(14)17-11(9)20/h4,6-8,13,19H,2-3H2,1H3,(H3,14,16,17,20)/t6-,7-,8-/m1/s1