[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 5-(1,2-dithiolan-3-yl)pentyl phosphate

Systemtic Name: [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 5-(1,2-dithiolan-3-yl)pentyl phosphate Openeye Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl 5-(dithiolan-3-yl)pentyl phosphate CAS Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl 5-(3-dithiolanyl)pentyl phosphate IUPAC Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 5-(dithiolan-3-yl)pentyl phosphate Traditional Name: (5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl 5-(dithiolan-3-yl)pentyl phosphate Formula: C18H27N5O7PS2- MolecularWeight: 520.540041

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Descriptors Computed from Structure

Canonical SMILES:

C1CSSC1CCCCCOP(=O)([O-])OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O

Isomeric SMILES

C1CSSC1CCCCCOP(=O)([O-])OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O

InChI

InChI=1S/C18H28N5O7PS2/c19-16-13-17(21-9-20-16)23(10-22-13)18-15(25)14(24)12(30-18)8-29-31(26,27)28-6-3-1-2-4-11-5-7-32-33-11/h9-12,14-15,18,24-25H,1-8H2,(H,26,27)(H2,19,20,21)/p-1