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

Systemtic Name: N,N-bis(2-chloroethyl)-2-(6-methylsulfanylpurin-9-yl)ethanamine hydrochloride Openeye Name: N,N-bis(2-chloroethyl)-2-(6-methylsulfanylpurin-9-yl)ethanamine hydrochloride CAS Name: N,N-bis(2-chloroethyl)-2-[6-(methylthio)-9-purinyl]ethanamine hydrochloride IUPAC Name: N,N-bis(2-chloroethyl)-2-(6-methylsulfanylpurin-9-yl)ethanamine hydrochloride Traditional Name: bis(2-chloroethyl)-[2-[6-(methylthio)purin-9-yl]ethyl]amine hydrochloride Formula: C12H18Cl3N5S MolecularWeight: 370.72882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17Cl2N5S.ClH/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;1H