1-[4,5-bis(oxidanyl)pentyl]-3-methyl-7-propyl-purine-2,6-dione

Systemtic Name: 1-[4,5-bis(oxidanyl)pentyl]-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 1-(4,5-dihydroxypentyl)-3-methyl-7-propyl-purine-2,6-dione CAS Name: 1-(4,5-dihydroxypentyl)-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 1-(4,5-dihydroxypentyl)-3-methyl-7-propylpurine-2,6-dione Traditional Name: 1-(4,5-dihydroxypentyl)-3-methyl-7-propyl-xanthine Formula: C14H22N4O4 MolecularWeight: 310.34888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCC(CO)O

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCC(CO)O

InChI

InChI=1S/C14H22N4O4/c1-3-6-17-9-15-12-11(17)13(21)18(14(22)16(12)2)7-4-5-10(20)8-19/h9-10,19-20H,3-8H2,1-2H3