[(3aS,4R,8S,10aR)-2,6-bis(azanyl)-4-(hydroxymethyl)-9,9-bis(oxidanyl)-3a,4,8,10-tetrahydro-3H-pyrrolo[1,2-c]purin-8-yl] hydrogen sulfate

Systemtic Name: [(3aS,4R,8S,10aR)-2,6-bis(azanyl)-4-(hydroxymethyl)-9,9-bis(oxidanyl)-3a,4,8,10-tetrahydro-3H-pyrrolo[1,2-c]purin-8-yl] hydrogen sulfate Openeye Name: [(3aS,4R,8S,10aR)-2,6-diamino-9,9-dihydroxy-4-(hydroxymethyl)-3a,4,8,10-tetrahydro-3H-pyrrolo[1,2-c]purin-8-yl] hydrogen sulfate CAS Name: sulfuric acid [(3aS,4R,8S,10aR)-2,6-diamino-9,9-dihydroxy-4-(hydroxymethyl)-3a,4,8,10-tetrahydro-3H-pyrrolo[1,2-c]purin-8-yl] ester IUPAC Name: [(3aS,4R,8S,10aR)-2,6-diamino-9,9-dihydroxy-4-(hydroxymethyl)-3a,4,8,10-tetrahydro-3H-pyrrolo[1,2-c]purin-8-yl] hydrogen sulfate Traditional Name: sulfuric acid [(3aS,4R,8S,10aR)-2,6-diamino-9,9-dihydroxy-4-methylol-3a,4,8,10-tetrahydro-3H-pyrrolo[1,2-c]purin-8-yl] ester Formula: C9H16N6O7S MolecularWeight: 352.32434

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Descriptors Computed from Structure

Canonical SMILES:

C1C23C(C(N=C(N2C(C1(O)O)OS(=O)(=O)O)N)CO)NC(=N3)N

Isomeric SMILES

C1[C@]23[C@H]([C@@H](N=C(N2[C@H](C1(O)O)OS(=O)(=O)O)N)CO)NC(=N3)N

InChI

InChI=1S/C9H16N6O7S/c10-6-13-4-3(1-16)12-7(11)15-5(22-23(19,20)21)9(17,18)2-8(4,15)14-6/h3-5,16-18H,1-2H2,(H2,11,12)(H3,10,13,14)(H,19,20,21)/t3-,4-,5-,8+/m0/s1