1,3-dibutyl-7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-sulfanylidene-purin-6-one

Systemtic Name: 1,3-dibutyl-7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-sulfanylidene-purin-6-one Openeye Name: 1,3-dibutyl-7-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-thioxo-purin-6-one CAS Name: 1,3-dibutyl-7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-sulfanylidene-6-purinone IUPAC Name: 1,3-dibutyl-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepurin-6-one Traditional Name: 1,3-dibutyl-7-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-2-thioxo-purin-6-one Formula: C18H28N4O5S MolecularWeight: 412.50372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=S)CCCC)N(C=N2)C3C(C(C(O3)CO)O)O

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=S)CCCC)N(C=N2)C3C(C(C(O3)CO)O)O

InChI

InChI=1S/C18H28N4O5S/c1-3-5-7-20-15-12(16(26)21(18(20)28)8-6-4-2)22(10-19-15)17-14(25)13(24)11(9-23)27-17/h10-11,13-14,17,23-25H,3-9H2,1-2H3