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N-[2-(7H-purin-6-ylsulfanyl)ethyl]aniline

N-[2-(7H-purin-6-ylsulfanyl)ethyl]aniline

Systemtic Name:N-[2-(7H-purin-6-ylsulfanyl)ethyl]aniline
Openeye Name:N-[2-(7H-purin-6-ylsulfanyl)ethyl]aniline
CAS Name:N-[2-(7H-purin-6-ylthio)ethyl]aniline
IUPAC Name:N-[2-(7H-purin-6-ylsulfanyl)ethyl]aniline
Traditional Name:phenyl-[2-(7H-purin-6-ylthio)ethyl]amine
Formula: C13H13N5S
MolecularWeight: 271.34082
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCCSC2=NC=NC3=C2NC=N3


Isomeric SMILES

C1=CC=C(C=C1)NCCSC2=NC=NC3=C2NC=N3


InChI

InChI=1S/C13H13N5S/c1-2-4-10(5-3-1)14-6-7-19-13-11-12(16-8-15-11)17-9-18-13/h1-5,8-9,14H,6-7H2,(H,15,16,17,18)


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