1-(2-chloroethyl)-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-(2-chloroethyl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(2-chloroethyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(2-chloroethyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(2-chloroethyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(2-chloroethyl)-3,7-dimethyl-xanthine Formula: C9H11ClN4O2 MolecularWeight: 242.66224

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCl

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCl

InChI

InChI=1S/C9H11ClN4O2/c1-12-5-11-7-6(12)8(15)14(4-3-10)9(16)13(7)2/h5H,3-4H2,1-2H3