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

Systemtic Name: 8-[bis(2-chloroethyl)aminomethyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-[bis(2-chloroethyl)aminomethyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-[bis(2-chloroethyl)aminomethyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-[bis(2-chloroethyl)aminomethyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 8-[bis(2-chloroethyl)aminomethyl]-3,7-dimethyl-xanthine Formula: C12H17Cl2N5O2 MolecularWeight: 334.20168

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)NC(=O)N2C)CN(CCCl)CCCl

Isomeric SMILES

CN1C(=NC2=C1C(=O)NC(=O)N2C)CN(CCCl)CCCl

InChI

InChI=1S/C12H17Cl2N5O2/c1-17-8(7-19(5-3-13)6-4-14)15-10-9(17)11(20)16-12(21)18(10)2/h3-7H2,1-2H3,(H,16,20,21)