9-(3-azanyl-4-methyl-phenyl)-N,N-bis(2-chloroethyl)purin-6-amine

Systemtic Name: 9-(3-azanyl-4-methyl-phenyl)-N,N-bis(2-chloroethyl)purin-6-amine Openeye Name: 9-(3-amino-4-methyl-phenyl)-N,N-bis(2-chloroethyl)purin-6-amine CAS Name: 9-(3-amino-4-methylphenyl)-N,N-bis(2-chloroethyl)-6-purinamine IUPAC Name: 9-(3-amino-4-methylphenyl)-N,N-bis(2-chloroethyl)purin-6-amine Traditional Name: [9-(3-amino-4-methyl-phenyl)purin-6-yl]-bis(2-chloroethyl)amine Formula: C16H18Cl2N6 MolecularWeight: 365.26032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=NC3=C2N=CN=C3N(CCCl)CCCl)N

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=NC3=C2N=CN=C3N(CCCl)CCCl)N

InChI

InChI=1S/C16H18Cl2N6/c1-11-2-3-12(8-13(11)19)24-10-22-14-15(20-9-21-16(14)24)23(6-4-17)7-5-18/h2-3,8-10H,4-7,19H2,1H3