3-(2-chloranyl-4-propan-2-yl-phenyl)-8-ethyl-7-heptan-4-yl-1-methyl-purine-2,6-dione

Systemtic Name: 3-(2-chloranyl-4-propan-2-yl-phenyl)-8-ethyl-7-heptan-4-yl-1-methyl-purine-2,6-dione Openeye Name: 3-(2-chloro-4-isopropyl-phenyl)-8-ethyl-1-methyl-7-(1-propylbutyl)purine-2,6-dione CAS Name: 3-(2-chloro-4-propan-2-ylphenyl)-8-ethyl-7-heptan-4-yl-1-methylpurine-2,6-dione IUPAC Name: 3-(2-chloro-4-propan-2-ylphenyl)-8-ethyl-7-heptan-4-yl-1-methylpurine-2,6-dione Traditional Name: 3-(2-chloro-4-isopropyl-phenyl)-8-ethyl-1-methyl-7-(1-propylbutyl)xanthine Formula: C24H33ClN4O2 MolecularWeight: 444.99742

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C24H33ClN4O2/c1-7-10-17(11-8-2)28-20(9-3)26-22-21(28)23(30)27(6)24(31)29(22)19-13-12-16(15(4)5)14-18(19)25/h12-15,17H,7-11H2,1-6H3