phenyl 5-(7H-purin-6-ylsulfanyl)pentanoate

Systemtic Name: phenyl 5-(7H-purin-6-ylsulfanyl)pentanoate Openeye Name: phenyl 5-(7H-purin-6-ylsulfanyl)pentanoate CAS Name: 5-(7H-purin-6-ylthio)pentanoic acid phenyl ester IUPAC Name: phenyl 5-(7H-purin-6-ylsulfanyl)pentanoate Traditional Name: 5-(7H-purin-6-ylthio)valeric acid phenyl ester Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O2S/c21-13(22-12-6-2-1-3-7-12)8-4-5-9-23-16-14-15(18-10-17-14)19-11-20-16/h1-3,6-7,10-11H,4-5,8-9H2,(H,17,18,19,20)