N-[[4-azanyl-7-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]carbonylamino]methanamide

Systemtic Name: N-[[4-azanyl-7-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]carbonylamino]methanamide Openeye Name: N-[[4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]amino]formamide CAS Name: N-[[[4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-pyrrolo[2,3-d]pyrimidinyl]-oxomethyl]amino]formamide IUPAC Name: N-[[4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]amino]formamide Traditional Name: N-[[4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]amino]formamide Formula: C13H16N6O6 MolecularWeight: 352.30274

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=C(N1C3C(C(C(O3)CO)O)O)N=CN=C2N)C(=O)NNC=O

Isomeric SMILES

C1=C(C2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CN=C2N)C(=O)NNC=O

InChI

InChI=1S/C13H16N6O6/c14-10-7-5(12(24)18-17-4-21)1-19(11(7)16-3-15-10)13-9(23)8(22)6(2-20)25-13/h1,3-4,6,8-9,13,20,22-23H,2H2,(H,17,21)(H,18,24)(H2,14,15,16)/t6-,8-,9-,13-/m1/s1