1-[3-[4-(4-chlorophenyl)carbonylphenoxy]propyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-[4-(4-chlorophenyl)carbonylphenoxy]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[4-(4-chlorobenzoyl)phenoxy]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[4-[(4-chlorophenyl)-oxomethyl]phenoxy]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[4-(4-chlorobenzoyl)phenoxy]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[4-(4-chlorobenzoyl)phenoxy]propyl]-3,7-dimethyl-xanthine Formula: C23H21ClN4O4 MolecularWeight: 452.89024

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H21ClN4O4/c1-26-14-25-21-19(26)22(30)28(23(31)27(21)2)12-3-13-32-18-10-6-16(7-11-18)20(29)15-4-8-17(24)9-5-15/h4-11,14H,3,12-13H2,1-2H3