Chemical Component Summary

Name1,1'-PROPANE-1,3-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE)
SynonymsBISDIONIN C; 1-[3-(3,7-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-1-YL)PROPYL]-3,7-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
Identifiers1-[3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl]-3,7-dimethyl-purine-2,6-dione
FormulaC17 H20 N8 O4
Molecular Weight400.392
TypeNON-POLYMER
Isomeric SMILESCn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c(ncn4C)N(C3=O)C
InChIInChI=1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3
InChIKeyKEPIKAFUZRKZMT-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count0
Bond Count52
Aromatic Bond Count10

Related Resource References

Resource NameReference
PubChem 5025063
ChEMBL CHEMBL1738791