3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-(2-methylpentan-3-yl)purine-2,6-dione

Systemtic Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-(2-methylpentan-3-yl)purine-2,6-dione Openeye Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-(1-ethyl-2-methyl-propyl)-1-methyl-purine-2,6-dione CAS Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-(2-methylpentan-3-yl)purine-2,6-dione IUPAC Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-(2-methylpentan-3-yl)purine-2,6-dione Traditional Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-(1-ethyl-2-methyl-propyl)-1-methyl-xanthine Formula: C20H24Cl2N4O2 MolecularWeight: 423.33616

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C(CC)C(C)C)C(=O)N(C(=O)N2C3=C(C=C(C=C3)Cl)Cl)C

Isomeric SMILES

CCC1=NC2=C(N1C(CC)C(C)C)C(=O)N(C(=O)N2C3=C(C=C(C=C3)Cl)Cl)C

InChI

InChI=1S/C20H24Cl2N4O2/c1-6-14(11(3)4)25-16(7-2)23-18-17(25)19(27)24(5)20(28)26(18)15-9-8-12(21)10-13(15)22/h8-11,14H,6-7H2,1-5H3