ethyl 2-phenyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]ethanoate

Systemtic Name: ethyl 2-phenyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]ethanoate Openeye Name: ethyl 2-phenyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetate CAS Name: 2-[[1-oxo-5-(7H-purin-6-ylthio)pentyl]amino]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-phenyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetate Traditional Name: 2-phenyl-2-[5-(7H-purin-6-ylthio)pentanoylamino]acetic acid ethyl ester Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)NC(=O)CCCCSC2=NC=NC3=C2NC=N3

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)NC(=O)CCCCSC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C20H23N5O3S/c1-2-28-20(27)16(14-8-4-3-5-9-14)25-15(26)10-6-7-11-29-19-17-18(22-12-21-17)23-13-24-19/h3-5,8-9,12-13,16H,2,6-7,10-11H2,1H3,(H,25,26)(H,21,22,23,24)