9-(2-chloroethyl)-6-(phenylmethylsulfanyl)purin-2-amine

Systemtic Name: 9-(2-chloroethyl)-6-(phenylmethylsulfanyl)purin-2-amine Openeye Name: 6-benzylsulfanyl-9-(2-chloroethyl)purin-2-amine CAS Name: 9-(2-chloroethyl)-6-(phenylmethylthio)-2-purinamine IUPAC Name: 6-benzylsulfanyl-9-(2-chloroethyl)purin-2-amine Traditional Name: [6-(benzylthio)-9-(2-chloroethyl)purin-2-yl]amine Formula: C14H14ClN5S MolecularWeight: 319.81246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=NC3=C2N=CN3CCCl)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=NC3=C2N=CN3CCCl)N

InChI

InChI=1S/C14H14ClN5S/c15-6-7-20-9-17-11-12(20)18-14(16)19-13(11)21-8-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,16,18,19)