7-[2-[(3-chlorophenyl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[(3-chlorophenyl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(3-chloroanilino)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(3-chloroanilino)ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(3-chloroanilino)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(3-chloroanilino)ethyl]-1,3-dimethyl-xanthine Formula: C15H16ClN5O2 MolecularWeight: 333.77284

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC3=CC(=CC=C3)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC3=CC(=CC=C3)Cl

InChI

InChI=1S/C15H16ClN5O2/c1-19-13-12(14(22)20(2)15(19)23)21(9-18-13)7-6-17-11-5-3-4-10(16)8-11/h3-5,8-9,17H,6-7H2,1-2H3