(2R,3R,4S,5R)-2-[2-[4-(dimethylaminomethyl)-1,2,3-triazol-1-yl]-6-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: (2R,3R,4S,5R)-2-[2-[4-(dimethylaminomethyl)-1,2,3-triazol-1-yl]-6-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: (2R,3R,4S,5R)-2-[2-[4-(dimethylaminomethyl)triazol-1-yl]-6-(methylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: (2R,3R,4S,5R)-2-[2-[4-(dimethylaminomethyl)-1-triazolyl]-6-(methylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: (2R,3R,4S,5R)-2-[2-[4-(dimethylaminomethyl)triazol-1-yl]-6-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: (2R,3R,4S,5R)-2-[2-[4-(dimethylaminomethyl)triazol-1-yl]-6-(methylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C16H23N9O4 MolecularWeight: 405.41172

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)N4C=C(N=N4)CN(C)C

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N4C=C(N=N4)CN(C)C

InChI

InChI=1S/C16H23N9O4/c1-17-13-10-14(20-16(19-13)25-5-8(21-22-25)4-23(2)3)24(7-18-10)15-12(28)11(27)9(6-26)29-15/h5,7,9,11-12,15,26-28H,4,6H2,1-3H3,(H,17,19,20)/t9-,11-,12-,15-/m1/s1