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

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

Systemtic Name:8-[bis(2-chloroethyl)amino]-1,3,7-trimethyl-purine-2,6-dione
Openeye Name:8-[bis(2-chloroethyl)amino]-1,3,7-trimethyl-purine-2,6-dione
CAS Name:8-[bis(2-chloroethyl)amino]-1,3,7-trimethylpurine-2,6-dione
IUPAC Name:8-[bis(2-chloroethyl)amino]-1,3,7-trimethylpurine-2,6-dione
Traditional Name:8-[bis(2-chloroethyl)amino]-1,3,7-trimethyl-xanthine
Formula: C12H17Cl2N5O2
MolecularWeight: 334.20168
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N(CCCl)CCCl)N(C(=O)N(C2=O)C)C


Isomeric SMILES

CN1C2=C(N=C1N(CCCl)CCCl)N(C(=O)N(C2=O)C)C


InChI

InChI=1S/C12H17Cl2N5O2/c1-16-8-9(17(2)12(21)18(3)10(8)20)15-11(16)19(6-4-13)7-5-14/h4-7H2,1-3H3


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