8-[(3-chlorophenyl)amino]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[(3-chlorophenyl)amino]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-(3-chloroanilino)-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-(3-chloroanilino)-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-(3-chloroanilino)-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-(3-chloroanilino)-1,3,7-trimethyl-xanthine Formula: C14H14ClN5O2 MolecularWeight: 319.74626

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NC3=CC(=CC=C3)Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1NC3=CC(=CC=C3)Cl)N(C(=O)N(C2=O)C)C

InChI

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