Molecule ID: 91666333

IUPAC Name: (4aR,6R,7R,7aS)-6-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol

Description: The molecule is a nucleoside 3',5'-cyclic phosphate that is cAMP in which the methine (C-H) group at position 8 on the purine fragment is replaced by nitrogen. It is a member of triazolopyrimidines and a nucleoside 3',5'-cyclic phosphate. It derives from an 8-azaguanine.

SMILES: Nc1ncnc2c1nnn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O

SELFIES: [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=N][N][Ring1][Branch1][C@@H1][O][C@@H1][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C@H1][Ring1][Branch2][C@H1][Ring1][O][O]

InChI: InChI=1S/C9H11N6O6P/c10-7-4-8(12-2-11-7)15(14-13-4)9-5(16)6-3(20-9)1-19-22(17,18)21-6/h2-3,5-6,9,16H,1H2,(H,17,18)(H2,10,11,12)/t3-,5-,6-,9-/m1/s1

Molecular Properties:
- Polar Surface Area: 168.0 Ų
- LogP: -2.9