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

Systemtic Name: N,N-bis(2-chloroethyl)-9-(4-methyl-3-nitro-phenyl)purin-6-amine Openeye Name: N,N-bis(2-chloroethyl)-9-(4-methyl-3-nitro-phenyl)purin-6-amine CAS Name: N,N-bis(2-chloroethyl)-9-(4-methyl-3-nitrophenyl)-6-purinamine IUPAC Name: N,N-bis(2-chloroethyl)-9-(4-methyl-3-nitrophenyl)purin-6-amine Traditional Name: bis(2-chloroethyl)-[9-(4-methyl-3-nitro-phenyl)purin-6-yl]amine Formula: C16H16Cl2N6O2 MolecularWeight: 395.24324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=NC3=C2N=CN=C3N(CCCl)CCCl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=NC3=C2N=CN=C3N(CCCl)CCCl)[N+](=O)[O-]

InChI

InChI=1S/C16H16Cl2N6O2/c1-11-2-3-12(8-13(11)24(25)26)23-10-21-14-15(19-9-20-16(14)23)22(6-4-17)7-5-18/h2-3,8-10H,4-7H2,1H3