ethyl 2-[2-[5-[(2-azanyl-7H-purin-6-yl)sulfanyl]pentanoylamino]ethanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-[5-[(2-azanyl-7H-purin-6-yl)sulfanyl]pentanoylamino]ethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[5-[(2-amino-7H-purin-6-yl)sulfanyl]pentanoylamino]acetyl]amino]acetate CAS Name: 2-[[2-[[5-[(2-amino-7H-purin-6-yl)thio]-1-oxopentyl]amino]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[5-[(2-amino-7H-purin-6-yl)sulfanyl]pentanoylamino]acetyl]amino]acetate Traditional Name: 2-[[2-[5-[(2-amino-7H-purin-6-yl)thio]pentanoylamino]acetyl]amino]acetic acid ethyl ester Formula: C16H23N7O4S MolecularWeight: 409.46332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CNC(=O)CCCCSC1=NC(=NC2=C1NC=N2)N

Isomeric SMILES

CCOC(=O)CNC(=O)CNC(=O)CCCCSC1=NC(=NC2=C1NC=N2)N

InChI

InChI=1S/C16H23N7O4S/c1-2-27-12(26)8-19-11(25)7-18-10(24)5-3-4-6-28-15-13-14(21-9-20-13)22-16(17)23-15/h9H,2-8H2,1H3,(H,18,24)(H,19,25)(H3,17,20,21,22,23)