1-piperidin-1-yl-5-(7H-purin-6-ylsulfanyl)pentan-1-one

Systemtic Name: 1-piperidin-1-yl-5-(7H-purin-6-ylsulfanyl)pentan-1-one Openeye Name: 1-(1-piperidyl)-5-(7H-purin-6-ylsulfanyl)pentan-1-one CAS Name: 1-(1-piperidinyl)-5-(7H-purin-6-ylthio)-1-pentanone IUPAC Name: 1-piperidin-1-yl-5-(7H-purin-6-ylsulfanyl)pentan-1-one Traditional Name: 1-piperidino-5-(7H-purin-6-ylthio)pentan-1-one Formula: C15H21N5OS MolecularWeight: 319.42514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CCCCSC2=NC=NC3=C2NC=N3

Isomeric SMILES

C1CCN(CC1)C(=O)CCCCSC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C15H21N5OS/c21-12(20-7-3-1-4-8-20)6-2-5-9-22-15-13-14(17-10-16-13)18-11-19-15/h10-11H,1-9H2,(H,16,17,18,19)