3-[[2-azanyl-6-(methylamino)purin-9-yl]-butoxysulfanylcarbonyloxy-methoxy]propyl butoxysulfanylmethanoate

Systemtic Name: 3-[[2-azanyl-6-(methylamino)purin-9-yl]-butoxysulfanylcarbonyloxy-methoxy]propyl butoxysulfanylmethanoate Openeye Name: 3-[[2-amino-6-(methylamino)purin-9-yl]-butoxysulfanylcarbonyloxy-methoxy]propyl butoxysulfanylformate CAS Name: (butoxythio)formic acid 3-[[2-amino-6-(methylamino)-9-purinyl]-[(butoxythio)-oxomethoxy]methoxy]propyl ester IUPAC Name: 3-[[2-amino-6-(methylamino)purin-9-yl]-butoxysulfanylcarbonyloxymethoxy]propyl butoxysulfanylformate Traditional Name: (butoxythio)formic acid 3-[[2-amino-6-(methylamino)purin-9-yl]-(butoxythio)carbonyloxy-methoxy]propyl ester Formula: C20H32N6O7S2 MolecularWeight: 532.63408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOSC(=O)OCCCOC(N1C=NC2=C1N=C(N=C2NC)N)OC(=O)SOCCCC

Isomeric SMILES

CCCCOSC(=O)OCCCOC(N1C=NC2=C1N=C(N=C2NC)N)OC(=O)SOCCCC

InChI

InChI=1S/C20H32N6O7S2/c1-4-6-11-31-34-19(27)30-10-8-9-29-18(33-20(28)35-32-12-7-5-2)26-13-23-14-15(22-3)24-17(21)25-16(14)26/h13,18H,4-12H2,1-3H3,(H3,21,22,24,25)