N,N-bis(2-chloroethyl)-2-(6-methylsulfanylpurin-9-yl)ethanamine

Systemtic Name: N,N-bis(2-chloroethyl)-2-(6-methylsulfanylpurin-9-yl)ethanamine Openeye Name: N,N-bis(2-chloroethyl)-2-(6-methylsulfanylpurin-9-yl)ethanamine CAS Name: N,N-bis(2-chloroethyl)-2-[6-(methylthio)-9-purinyl]ethanamine IUPAC Name: N,N-bis(2-chloroethyl)-2-(6-methylsulfanylpurin-9-yl)ethanamine Traditional Name: bis(2-chloroethyl)-[2-[6-(methylthio)purin-9-yl]ethyl]amine Formula: C12H17Cl2N5S MolecularWeight: 334.26788

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=NC2=C1N=CN2CCN(CCCl)CCCl

Isomeric SMILES

CSC1=NC=NC2=C1N=CN2CCN(CCCl)CCCl

InChI

InChI=1S/C12H17Cl2N5S/c1-20-12-10-11(15-8-16-12)19(9-17-10)7-6-18(4-2-13)5-3-14/h8-9H,2-7H2,1H3