7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-1,3-dipentyl-purine-2,6-dione

Systemtic Name: 7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-1,3-dipentyl-purine-2,6-dione Openeye Name: 7-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-1,3-dipentyl-purine-2,6-dione CAS Name: 7-[[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-1,3-dipentylpurine-2,6-dione IUPAC Name: 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-1,3-dipentylpurine-2,6-dione Traditional Name: 1,3-diamyl-7-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)oxy-xanthine Formula: C20H32N4O7 MolecularWeight: 440.49068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C(=O)N(C1=O)CCCCC)N(C=N2)OC3C(C(C(O3)CO)O)O

Isomeric SMILES

CCCCCN1C2=C(C(=O)N(C1=O)CCCCC)N(C=N2)OC3C(C(C(O3)CO)O)O

InChI

InChI=1S/C20H32N4O7/c1-3-5-7-9-22-17-14(18(28)23(20(22)29)10-8-6-4-2)24(12-21-17)31-19-16(27)15(26)13(11-25)30-19/h12-13,15-16,19,25-27H,3-11H2,1-2H3