6-(2-methylsulfanylethyl)-9-(phenylmethyl)purine

Systemtic Name: 6-(2-methylsulfanylethyl)-9-(phenylmethyl)purine Openeye Name: 9-benzyl-6-(2-methylsulfanylethyl)purine CAS Name: 6-[2-(methylthio)ethyl]-9-(phenylmethyl)purine IUPAC Name: 9-benzyl-6-(2-methylsulfanylethyl)purine Traditional Name: 9-benzyl-6-[2-(methylthio)ethyl]purine Formula: C15H16N4S MolecularWeight: 284.37934

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CSCCC1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C15H16N4S/c1-20-8-7-13-14-15(17-10-16-13)19(11-18-14)9-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3