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

Systemtic Name: 3-(2-chloranyl-4-methoxy-phenyl)-8-ethyl-7-heptan-4-yl-1-methyl-purine-2,6-dione Openeye Name: 3-(2-chloro-4-methoxy-phenyl)-8-ethyl-1-methyl-7-(1-propylbutyl)purine-2,6-dione CAS Name: 3-(2-chloro-4-methoxyphenyl)-8-ethyl-7-heptan-4-yl-1-methylpurine-2,6-dione IUPAC Name: 3-(2-chloro-4-methoxyphenyl)-8-ethyl-7-heptan-4-yl-1-methylpurine-2,6-dione Traditional Name: 3-(2-chloro-4-methoxy-phenyl)-8-ethyl-1-methyl-7-(1-propylbutyl)xanthine Formula: C22H29ClN4O3 MolecularWeight: 432.94366

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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)OC)Cl)C)CC

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN4O3/c1-6-9-14(10-7-2)26-18(8-3)24-20-19(26)21(28)25(4)22(29)27(20)17-12-11-15(30-5)13-16(17)23/h11-14H,6-10H2,1-5H3