7-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-1-(cyclopropylmethyl)-3-phenyl-purine-2,6-dione

Systemtic Name: 7-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-1-(cyclopropylmethyl)-3-phenyl-purine-2,6-dione Openeye Name: 7-[2-(4-chlorophenyl)-2-oxo-ethyl]-1-(cyclopropylmethyl)-3-phenyl-purine-2,6-dione CAS Name: 7-[2-(4-chlorophenyl)-2-oxoethyl]-1-(cyclopropylmethyl)-3-phenylpurine-2,6-dione IUPAC Name: 7-[2-(4-chlorophenyl)-2-oxoethyl]-1-(cyclopropylmethyl)-3-phenylpurine-2,6-dione Traditional Name: 7-[2-(4-chlorophenyl)-2-keto-ethyl]-1-(cyclopropylmethyl)-3-phenyl-xanthine Formula: C23H19ClN4O3 MolecularWeight: 434.87496

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C(=O)C3=C(N=CN3CC(=O)C4=CC=C(C=C4)Cl)N(C2=O)C5=CC=CC=C5

Isomeric SMILES

C1CC1CN2C(=O)C3=C(N=CN3CC(=O)C4=CC=C(C=C4)Cl)N(C2=O)C5=CC=CC=C5

InChI

InChI=1S/C23H19ClN4O3/c24-17-10-8-16(9-11-17)19(29)13-26-14-25-21-20(26)22(30)27(12-15-6-7-15)23(31)28(21)18-4-2-1-3-5-18/h1-5,8-11,14-15H,6-7,12-13H2