ethyl 2-[3-(4,6-dihydro-1H-purin-6-ylsulfanyl)propanoylamino]ethanoate

Systemtic Name: ethyl 2-[3-(4,6-dihydro-1H-purin-6-ylsulfanyl)propanoylamino]ethanoate Openeye Name: ethyl 2-[3-(4,6-dihydro-1H-purin-6-ylsulfanyl)propanoylamino]acetate CAS Name: 2-[[3-(4,6-dihydro-1H-purin-6-ylthio)-1-oxopropyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(4,6-dihydro-1H-purin-6-ylsulfanyl)propanoylamino]acetate Traditional Name: 2-[3-(4,6-dihydro-1H-purin-6-ylthio)propanoylamino]acetic acid ethyl ester Formula: C12H17N5O3S MolecularWeight: 311.36008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CCSC1C2=NC=NC2N=CN1

Isomeric SMILES

CCOC(=O)CNC(=O)CCSC1C2=NC=NC2N=CN1

InChI

InChI=1S/C12H17N5O3S/c1-2-20-9(19)5-13-8(18)3-4-21-12-10-11(15-6-14-10)16-7-17-12/h6-7,11-12H,2-5H2,1H3,(H,13,18)(H,16,17)