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8-[4-[bis(2-chloroethyl)amino]phenyl]-1,3,7-trimethyl-purine-2,6-dione

8-[4-[bis(2-chloroethyl)amino]phenyl]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name:8-[4-[bis(2-chloroethyl)amino]phenyl]-1,3,7-trimethyl-purine-2,6-dione
Openeye Name:8-[4-[bis(2-chloroethyl)amino]phenyl]-1,3,7-trimethyl-purine-2,6-dione
CAS Name:8-[4-[bis(2-chloroethyl)amino]phenyl]-1,3,7-trimethylpurine-2,6-dione
IUPAC Name:8-[4-[bis(2-chloroethyl)amino]phenyl]-1,3,7-trimethylpurine-2,6-dione
Traditional Name:8-[4-[bis(2-chloroethyl)amino]phenyl]-1,3,7-trimethyl-xanthine
Formula: C18H21Cl2N5O2
MolecularWeight: 410.29764
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C3=CC=C(C=C3)N(CCCl)CCCl)N(C(=O)N(C2=O)C)C


Isomeric SMILES

CN1C2=C(N=C1C3=CC=C(C=C3)N(CCCl)CCCl)N(C(=O)N(C2=O)C)C


InChI

InChI=1S/C18H21Cl2N5O2/c1-22-14-16(23(2)18(27)24(3)17(14)26)21-15(22)12-4-6-13(7-5-12)25(10-8-19)11-9-20/h4-7H,8-11H2,1-3H3


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