methyl 2-[[5-(6-azanyl-2-propylsulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]ethanoate

Systemtic Name: methyl 2-[[5-(6-azanyl-2-propylsulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]ethanoate Openeye Name: methyl 2-[[5-(6-amino-2-propylsulfanyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]acetate CAS Name: 2-[[5-[6-amino-2-(propylthio)-9-purinyl]-3,4-dihydroxy-2-oxolanyl]methoxy]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(6-amino-2-propylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]acetate Traditional Name: 2-[[5-[6-amino-2-(propylthio)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]acetic acid methyl ester Formula: C16H23N5O6S MolecularWeight: 413.44872

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COCC(=O)OC)O)O

Isomeric SMILES

CCCSC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COCC(=O)OC)O)O

InChI

InChI=1S/C16H23N5O6S/c1-3-4-28-16-19-13(17)10-14(20-16)21(7-18-10)15-12(24)11(23)8(27-15)5-26-6-9(22)25-2/h7-8,11-12,15,23-24H,3-6H2,1-2H3,(H2,17,19,20)