(3S,4R,5R)-5-(6-azanyl-8-methyl-purin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: (3S,4R,5R)-5-(6-azanyl-8-methyl-purin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol Openeye Name: (3S,4R,5R)-5-(6-amino-8-methyl-purin-9-yl)-2-ethynyl-2-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: (3S,4R,5R)-5-(6-amino-8-methyl-9-purinyl)-2-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: (3S,4R,5R)-5-(6-amino-8-methylpurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol Traditional Name: (3S,4R,5R)-5-(6-amino-8-methyl-purin-9-yl)-2-ethynyl-2-methylol-tetrahydrofuran-3,4-diol Formula: C13H15N5O4 MolecularWeight: 305.2893

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3C(C(C(O3)(CO)C#C)O)O)N=CN=C2N

Isomeric SMILES

CC1=NC2=C(N1[C@H]3[C@@H]([C@@H](C(O3)(CO)C#C)O)O)N=CN=C2N

InChI

InChI=1S/C13H15N5O4/c1-3-13(4-19)9(21)8(20)12(22-13)18-6(2)17-7-10(14)15-5-16-11(7)18/h1,5,8-9,12,19-21H,4H2,2H3,(H2,14,15,16)/t8-,9+,12-,13?/m1/s1