methyl 4-[6-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)hexylsulfanyl]-2-methyl-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[6-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)hexylsulfanyl]-2-methyl-4-oxidanylidene-butanoate Openeye Name: methyl 4-[6-(2-amino-6-oxo-3H-purin-9-yl)hexylsulfanyl]-2-methyl-4-oxo-butanoate CAS Name: 4-[6-(2-amino-6-oxo-3H-purin-9-yl)hexylthio]-2-methyl-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[6-(2-amino-6-oxo-3H-purin-9-yl)hexylsulfanyl]-2-methyl-4-oxobutanoate Traditional Name: 4-[6-(2-amino-6-keto-3H-purin-9-yl)hexylthio]-4-keto-2-methyl-butyric acid methyl ester Formula: C17H25N5O4S MolecularWeight: 395.4765

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)SCCCCCCN1C=NC2=C1NC(=NC2=O)N)C(=O)OC

Isomeric SMILES

CC(CC(=O)SCCCCCCN1C=NC2=C1NC(=NC2=O)N)C(=O)OC

InChI

InChI=1S/C17H25N5O4S/c1-11(16(25)26-2)9-12(23)27-8-6-4-3-5-7-22-10-19-13-14(22)20-17(18)21-15(13)24/h10-11H,3-9H2,1-2H3,(H3,18,20,21,24)