Molecule ID: 11256139

IUPAC Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(3-methylbut-3-enylamino)purin-9-yl]oxolane-3,4-diol

Description: The molecule is a hydrocarbyladenosine in which adenosine is substituted at N-6 by an isopentenyl group. It has a role as a cytokinin. It is a hydrocarbyladenosine and an isoprenoid.

SMILES: C=C(C)CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

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

InChI: InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h6-7,9,11-12,15,21-23H,1,3-5H2,2H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1

Molecular Properties:
- Polar Surface Area: 126.0 Ų
- LogP: 1.3