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6-(phenylmethylsulfanyl)-7H-purin-2-amine

6-(phenylmethylsulfanyl)-7H-purin-2-amine

Systemtic Name:6-(phenylmethylsulfanyl)-7H-purin-2-amine
Openeye Name:6-benzylsulfanyl-7H-purin-2-amine
CAS Name:6-(phenylmethylthio)-7H-purin-2-amine
IUPAC Name:6-benzylsulfanyl-7H-purin-2-amine
Traditional Name:[6-(benzylthio)-7H-purin-2-yl]amine
Formula: C12H11N5S
MolecularWeight: 257.31424
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=NC3=C2NC=N3)N


Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=NC3=C2NC=N3)N


InChI

InChI=1S/C12H11N5S/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)


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