N,N-bis(2-chloroethyl)-2-(7H-purin-6-ylsulfanyl)ethanamine

Systemtic Name: N,N-bis(2-chloroethyl)-2-(7H-purin-6-ylsulfanyl)ethanamine Openeye Name: N,N-bis(2-chloroethyl)-2-(7H-purin-6-ylsulfanyl)ethanamine CAS Name: N,N-bis(2-chloroethyl)-2-(7H-purin-6-ylthio)ethanamine IUPAC Name: N,N-bis(2-chloroethyl)-2-(7H-purin-6-ylsulfanyl)ethanamine Traditional Name: bis(2-chloroethyl)-[2-(7H-purin-6-ylthio)ethyl]amine Formula: C11H15Cl2N5S MolecularWeight: 320.2413

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)SCCN(CCCl)CCCl

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)SCCN(CCCl)CCCl

InChI

InChI=1S/C11H15Cl2N5S/c12-1-3-18(4-2-13)5-6-19-11-9-10(15-7-14-9)16-8-17-11/h7-8H,1-6H2,(H,14,15,16,17)