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Substance Name: 1H,10H-Pyrrolo(1,2-c)purine-9,10,10-triol, 2,6-diamino-3a,4,8,9-tetrahydro-4-(hydroxymethyl)-, 9-(hydrogen sulfate), (3aS,4R,9R,10aS)-
RN: 86996-87-4
InChIKey: GBRZXCTZYCGMIE-KALNXVOASA-N

Molecular Formula

  • C9-H16-N6-O7-S

Molecular Weight

  • 352.3264
 
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Names and Synonyms

  • 1H,10H-Pyrrolo(1,2-c)purine-9,10,10-triol, 2,6-diamino-3a,4,8,9-tetrahydro-4-(hydroxymethyl)-, 9-(hydrogen sulfate), (3aS,4R,9R,10aS)-

Registry Numbers

CAS Registry Number

  • 86996-87-4

System Generated Number

  • 0086996874

Structure Descriptors

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

InChIKey

GBRZXCTZYCGMIE-KALNXVOASA-N

Smiles

NC1=N[C@H]2[C@H](CO)N=C(N)N3[C@@H](OS(=O)(=O)O)C(O)(O)C[C@]23N1