3-(2-chloranyl-4-propan-2-yl-phenyl)-7-heptan-4-yl-1-methyl-purine-2,6-dione

Systemtic Name: 3-(2-chloranyl-4-propan-2-yl-phenyl)-7-heptan-4-yl-1-methyl-purine-2,6-dione Openeye Name: 3-(2-chloro-4-isopropyl-phenyl)-1-methyl-7-(1-propylbutyl)purine-2,6-dione CAS Name: 3-(2-chloro-4-propan-2-ylphenyl)-7-heptan-4-yl-1-methylpurine-2,6-dione IUPAC Name: 3-(2-chloro-4-propan-2-ylphenyl)-7-heptan-4-yl-1-methylpurine-2,6-dione Traditional Name: 3-(2-chloro-4-isopropyl-phenyl)-1-methyl-7-(1-propylbutyl)xanthine Formula: C22H29ClN4O2 MolecularWeight: 416.94426

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N1C=NC2=C1C(=O)N(C(=O)N2C3=C(C=C(C=C3)C(C)C)Cl)C

Isomeric SMILES

CCCC(CCC)N1C=NC2=C1C(=O)N(C(=O)N2C3=C(C=C(C=C3)C(C)C)Cl)C

InChI

InChI=1S/C22H29ClN4O2/c1-6-8-16(9-7-2)26-13-24-20-19(26)21(28)25(5)22(29)27(20)18-11-10-15(14(3)4)12-17(18)23/h10-14,16H,6-9H2,1-5H3