2-azanyl-7-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidine-5-carboximidamide; ethanoic acid

Systemtic Name: 2-azanyl-7-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidine-5-carboximidamide; ethanoic acid Openeye Name: acetic acid; 2-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-carboxamidine CAS Name: acetic acid; 2-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-carboximidamide IUPAC Name: acetic acid; 2-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-carboximidamide Traditional Name: acetic acid; 2-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-4-keto-1H-pyrrolo[2,3-d]pyrimidine-5-carboxamidine Formula: C14H20N6O7 MolecularWeight: 384.3446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=C(C2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N)C(=N)N

Isomeric SMILES

CC(=O)O.C1=C(C2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=NC2=O)N)C(=N)N

InChI

InChI=1S/C12H16N6O5.C2H4O2/c13-8(14)3-1-18(9-5(3)10(22)17-12(15)16-9)11-7(21)6(20)4(2-19)23-11;1-2(3)4/h1,4,6-7,11,19-21H,2H2,(H3,13,14)(H3,15,16,17,22);1H3,(H,3,4)/t4-,6-,7-,11-;/m1./s1