7-(4-azanyl-2-methyl-phenyl)-8-chloranyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-(4-azanyl-2-methyl-phenyl)-8-chloranyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(4-amino-2-methyl-phenyl)-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(4-amino-2-methylphenyl)-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(4-amino-2-methylphenyl)-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-amino-2-methyl-phenyl)-8-chloro-1,3-dimethyl-xanthine Formula: C14H14ClN5O2 MolecularWeight: 319.74626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)N2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=C(C=CC(=C1)N)N2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C14H14ClN5O2/c1-7-6-8(16)4-5-9(7)20-10-11(17-13(20)15)18(2)14(22)19(3)12(10)21/h4-6H,16H2,1-3H3