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

Systemtic Name: 8-[bis(2-chloroethyl)amino]-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-[bis(2-chloroethyl)amino]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-[bis(2-chloroethyl)amino]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-[bis(2-chloroethyl)amino]-3,7-dimethylpurine-2,6-dione Traditional Name: 8-[bis(2-chloroethyl)amino]-3,7-dimethyl-xanthine Formula: C11H15Cl2N5O2 MolecularWeight: 320.1751

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N(CCCl)CCCl)N(C(=O)NC2=O)C

Isomeric SMILES

CN1C2=C(N=C1N(CCCl)CCCl)N(C(=O)NC2=O)C

InChI

InChI=1S/C11H15Cl2N5O2/c1-16-7-8(17(2)11(20)15-9(7)19)14-10(16)18(5-3-12)6-4-13/h3-6H2,1-2H3,(H,15,19,20)