6-heptylsulfanyl-7H-purin-2-amine

Systemtic Name: 6-heptylsulfanyl-7H-purin-2-amine Openeye Name: 6-heptylsulfanyl-7H-purin-2-amine CAS Name: 6-(heptylthio)-7H-purin-2-amine IUPAC Name: 6-heptylsulfanyl-7H-purin-2-amine Traditional Name: [6-(heptylthio)-7H-purin-2-yl]amine Formula: C12H19N5S MolecularWeight: 265.37776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC(=NC2=C1NC=N2)N

Isomeric SMILES

CCCCCCCSC1=NC(=NC2=C1NC=N2)N

InChI

InChI=1S/C12H19N5S/c1-2-3-4-5-6-7-18-11-9-10(15-8-14-9)16-12(13)17-11/h8H,2-7H2,1H3,(H3,13,14,15,16,17)