2-azanyl-9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-8-prop-1-ynyl-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-8-prop-1-ynyl-3H-purin-6-one Openeye Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-prop-1-ynyl-3H-purin-6-one CAS Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-prop-1-ynyl-3H-purin-6-one IUPAC Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-prop-1-ynyl-3H-purin-6-one Traditional Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-8-prop-1-ynyl-3H-purin-6-one Formula: C13H15N5O4 MolecularWeight: 305.2893

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=NC2=C(N1C3CC(C(O3)CO)O)NC(=NC2=O)N

Isomeric SMILES

CC#CC1=NC2=C(N1[C@H]3C[C@@H]([C@H](O3)CO)O)NC(=NC2=O)N

InChI

InChI=1S/C13H15N5O4/c1-2-3-8-15-10-11(16-13(14)17-12(10)21)18(8)9-4-6(20)7(5-19)22-9/h6-7,9,19-20H,4-5H2,1H3,(H3,14,16,17,21)/t6-,7+,9+/m0/s1