8-[(4-chlorophenyl)methylamino]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[(4-chlorophenyl)methylamino]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[(4-chlorophenyl)methylamino]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(4-chlorophenyl)methylamino]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(4-chlorophenyl)methylamino]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(4-chlorobenzyl)amino]-1,3,7-trimethyl-xanthine Formula: C15H16ClN5O2 MolecularWeight: 333.77284

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCC3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1NCC3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H16ClN5O2/c1-19-11-12(20(2)15(23)21(3)13(11)22)18-14(19)17-8-9-4-6-10(16)7-5-9/h4-7H,8H2,1-3H3,(H,17,18)