2-azanyl-9-hexyl-8-prop-2-enylsulfanyl-3H-purin-6-one

Systemtic Name: 2-azanyl-9-hexyl-8-prop-2-enylsulfanyl-3H-purin-6-one Openeye Name: 8-allylsulfanyl-2-amino-9-hexyl-3H-purin-6-one CAS Name: 2-amino-9-hexyl-8-(prop-2-enylthio)-3H-purin-6-one IUPAC Name: 2-amino-9-hexyl-8-prop-2-enylsulfanyl-3H-purin-6-one Traditional Name: 8-(allylthio)-2-amino-9-hexyl-3H-purin-6-one Formula: C14H21N5OS MolecularWeight: 307.41444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C(=O)N=C(N2)N)N=C1SCC=C

Isomeric SMILES

CCCCCCN1C2=C(C(=O)N=C(N2)N)N=C1SCC=C

InChI

InChI=1S/C14H21N5OS/c1-3-5-6-7-8-19-11-10(12(20)18-13(15)17-11)16-14(19)21-9-4-2/h4H,2-3,5-9H2,1H3,(H3,15,17,18,20)