[3,4-bis(oxidanyl)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl dibutyl phosphate

Systemtic Name: [3,4-bis(oxidanyl)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl dibutyl phosphate Openeye Name: dibutyl [3,4-dihydroxy-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl phosphate CAS Name: phosphoric acid dibutyl [3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: dibutyl [3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl phosphate Traditional Name: phosphoric acid dibutyl [3,4-dihydroxy-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C18H29N4O7PS MolecularWeight: 476.484221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOP(=O)(OCCCC)OCC1C(C(C(O1)N2C=NC3=C2NC=NC3=S)O)O

Isomeric SMILES

CCCCOP(=O)(OCCCC)OCC1C(C(C(O1)N2C=NC3=C2NC=NC3=S)O)O

InChI

InChI=1S/C18H29N4O7PS/c1-3-5-7-26-30(25,27-8-6-4-2)28-9-12-14(23)15(24)18(29-12)22-11-21-13-16(22)19-10-20-17(13)31/h10-12,14-15,18,23-24H,3-9H2,1-2H3,(H,19,20,31)