N,N-bis(2-chloroethyl)-9-(3-methylphenyl)purin-6-amine

Systemtic Name: N,N-bis(2-chloroethyl)-9-(3-methylphenyl)purin-6-amine Openeye Name: N,N-bis(2-chloroethyl)-9-(m-tolyl)purin-6-amine CAS Name: N,N-bis(2-chloroethyl)-9-(3-methylphenyl)-6-purinamine IUPAC Name: N,N-bis(2-chloroethyl)-9-(3-methylphenyl)purin-6-amine Traditional Name: bis(2-chloroethyl)-[9-(m-tolyl)purin-6-yl]amine Formula: C16H17Cl2N5 MolecularWeight: 350.24568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=NC3=C2N=CN=C3N(CCCl)CCCl

Isomeric SMILES

CC1=CC(=CC=C1)N2C=NC3=C2N=CN=C3N(CCCl)CCCl

InChI

InChI=1S/C16H17Cl2N5/c1-12-3-2-4-13(9-12)23-11-21-14-15(19-10-20-16(14)23)22(7-5-17)8-6-18/h2-4,9-11H,5-8H2,1H3