8-chloranyl-7-(2-methoxyphenyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-(2-methoxyphenyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-(2-methoxyphenyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-(2-methoxyphenyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-(2-methoxyphenyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-(2-methoxyphenyl)-1,3-dimethyl-xanthine Formula: C14H13ClN4O3 MolecularWeight: 320.73102

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)C3=CC=CC=C3OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)C3=CC=CC=C3OC

InChI

InChI=1S/C14H13ClN4O3/c1-17-11-10(12(20)18(2)14(17)21)19(13(15)16-11)8-6-4-5-7-9(8)22-3/h4-7H,1-3H3