N,N-bis(2-chloroethyl)-2-[6-(phenylmethylsulfanyl)purin-9-yl]ethanamine

Systemtic Name: N,N-bis(2-chloroethyl)-2-[6-(phenylmethylsulfanyl)purin-9-yl]ethanamine Openeye Name: 2-(6-benzylsulfanylpurin-9-yl)-N,N-bis(2-chloroethyl)ethanamine CAS Name: N,N-bis(2-chloroethyl)-2-[6-(phenylmethylthio)-9-purinyl]ethanamine IUPAC Name: 2-(6-benzylsulfanylpurin-9-yl)-N,N-bis(2-chloroethyl)ethanamine Traditional Name: 2-[6-(benzylthio)purin-9-yl]ethyl-bis(2-chloroethyl)amine Formula: C18H21Cl2N5S MolecularWeight: 410.36384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=NC3=C2N=CN3CCN(CCCl)CCCl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=NC3=C2N=CN3CCN(CCCl)CCCl

InChI

InChI=1S/C18H21Cl2N5S/c19-6-8-24(9-7-20)10-11-25-14-23-16-17(25)21-13-22-18(16)26-12-15-4-2-1-3-5-15/h1-5,13-14H,6-12H2