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

Systemtic Name: ethyl 2-[5-[(2-azanyl-7H-purin-6-yl)sulfanyl]pentanoylamino]ethanoate Openeye Name: ethyl 2-[5-[(2-amino-7H-purin-6-yl)sulfanyl]pentanoylamino]acetate CAS Name: 2-[[5-[(2-amino-7H-purin-6-yl)thio]-1-oxopentyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-[(2-amino-7H-purin-6-yl)sulfanyl]pentanoylamino]acetate Traditional Name: 2-[5-[(2-amino-7H-purin-6-yl)thio]pentanoylamino]acetic acid ethyl ester Formula: C14H20N6O3S MolecularWeight: 352.412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N6O3S/c1-2-23-10(22)7-16-9(21)5-3-4-6-24-13-11-12(18-8-17-11)19-14(15)20-13/h8H,2-7H2,1H3,(H,16,21)(H3,15,17,18,19,20)