ethyl 2-[5-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanyl]pentanoylamino]ethanoate

Systemtic Name: ethyl 2-[5-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanyl]pentanoylamino]ethanoate Openeye Name: ethyl 2-[5-[(6-oxo-3,7-dihydropurin-2-yl)sulfanyl]pentanoylamino]acetate CAS Name: 2-[[1-oxo-5-[(6-oxo-3,7-dihydropurin-2-yl)thio]pentyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-[(6-oxo-3,7-dihydropurin-2-yl)sulfanyl]pentanoylamino]acetate Traditional Name: 2-[5-[(6-keto-3,7-dihydropurin-2-yl)thio]pentanoylamino]acetic acid ethyl ester Formula: C14H19N5O4S MolecularWeight: 353.39676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CCCCSC1=NC(=O)C2=C(N1)N=CN2

Isomeric SMILES

CCOC(=O)CNC(=O)CCCCSC1=NC(=O)C2=C(N1)N=CN2

InChI

InChI=1S/C14H19N5O4S/c1-2-23-10(21)7-15-9(20)5-3-4-6-24-14-18-12-11(13(22)19-14)16-8-17-12/h8H,2-7H2,1H3,(H,15,20)(H2,16,17,18,19,22)