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

Systemtic Name: 8-chloranyl-7-[(2-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[(2-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[(2-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[(2-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-o-anisyl-xanthine Formula: C15H15ClN4O3 MolecularWeight: 334.7576

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC=CC=C3OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC=CC=C3OC

InChI

InChI=1S/C15H15ClN4O3/c1-18-12-11(13(21)19(2)15(18)22)20(14(16)17-12)8-9-6-4-5-7-10(9)23-3/h4-7H,8H2,1-3H3