ethyl 4-azanyl-7-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d][1,2,3]triazine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-7-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d][1,2,3]triazine-5-carboxylate Openeye Name: ethyl 4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]triazine-5-carboxylate CAS Name: 4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-pyrrolo[2,3-d]triazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]triazine-5-carboxylate Traditional Name: 4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrrolo[2,3-d]triazine-5-carboxylic acid ethyl ester Formula: C13H17N5O6 MolecularWeight: 339.30398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C1C(=NN=N2)N)C3C(C(C(O3)CO)O)O

Isomeric SMILES

CCOC(=O)C1=CN(C2=C1C(=NN=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

InChI

InChI=1S/C13H17N5O6/c1-2-23-13(22)5-3-18(11-7(5)10(14)15-17-16-11)12-9(21)8(20)6(4-19)24-12/h3,6,8-9,12,19-21H,2,4H2,1H3,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1