1-[12-(4-chlorophenyl)-10-oxidanyl-dodecyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[12-(4-chlorophenyl)-10-oxidanyl-dodecyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[12-(4-chlorophenyl)-10-hydroxy-dodecyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[12-(4-chlorophenyl)-10-hydroxydodecyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[12-(4-chlorophenyl)-10-hydroxydodecyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[12-(4-chlorophenyl)-10-hydroxy-dodecyl]-3,7-dimethyl-xanthine Formula: C25H35ClN4O3 MolecularWeight: 475.0234

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCC(CCC3=CC=C(C=C3)Cl)O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCC(CCC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C25H35ClN4O3/c1-28-18-27-23-22(28)24(32)30(25(33)29(23)2)17-9-7-5-3-4-6-8-10-21(31)16-13-19-11-14-20(26)15-12-19/h11-12,14-15,18,21,31H,3-10,13,16-17H2,1-2H3