4,6-bis(azanyl)-7-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide

Systemtic Name: 4,6-bis(azanyl)-7-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide Openeye Name: 4,6-diamino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide CAS Name: 4,6-diamino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-pyrrolo[2,3-d]pyrimidinecarboxamide IUPAC Name: 4,6-diamino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide Traditional Name: 4,6-diamino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide Formula: C12H16N6O5 MolecularWeight: 324.29264

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=C(N2C3C(C(C(O3)CO)O)O)N)C(=O)N)C(=N1)N

Isomeric SMILES

C1=NC2=C(C(=C(N2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)N)C(=N1)N

InChI

InChI=1S/C12H16N6O5/c13-8-4-5(10(15)22)9(14)18(11(4)17-2-16-8)12-7(21)6(20)3(1-19)23-12/h2-3,6-7,12,19-21H,1,14H2,(H2,15,22)(H2,13,16,17)/t3-,6-,7-,12-/m1/s1