N-hexyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: N-hexyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-hexyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-hexyl-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-hexyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: hexyl-[2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C13H20N4S MolecularWeight: 264.3897

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC(=NC2=C1C=CN2)SC

Isomeric SMILES

CCCCCCNC1=NC(=NC2=C1C=CN2)SC

InChI

InChI=1S/C13H20N4S/c1-3-4-5-6-8-14-11-10-7-9-15-12(10)17-13(16-11)18-2/h7,9H,3-6,8H2,1-2H3,(H2,14,15,16,17)