6-Amino-2-mercaptopurine; N6-(2-Hydroxybenzyl), S-Me, 9-β-D-glucofuranosyl
AlkaPlorer ID: AK286161
Synonym: None
IUPAC Name: 2-(1,2-dihydroxyethyl)-5-[6-[(2-hydroxyphenyl)methylamino]-2-methylsulfanylpurin-9-yl]oxolane-3,4-diol
Structure
SMILES: CSC1=NC(NCC2=CC=CC=C2O)=C2N=CN(C3OC(C(O)CO)C(O)C3O)C2=N1
InChI: InChI=1S/C19H23N5O6S/c1-31-19-22-16(20-6-9-4-2-3-5-10(9)26)12-17(23-19)24(8-21-12)18-14(29)13(28)15(30-18)11(27)7-25/h2-5,8,11,13-15,18,25-29H,6-7H2,1H3,(H,20,22,23)
InChIKey: IFUUHIRDBFGNJB-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zantedeschia aethiopica | Zantedeschia | Araceae | Alismatales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 449.48900000000015
TPSA？: 166.01
MolLogP？: -0.1617000000000001
Number of H-Donors: 6
Number of H-Acceptors: 12
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|