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

Systemtic Name: 7-(1-cyclopropylethyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-purine-2,6-dione Openeye Name: 7-(1-cyclopropylethyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-purine-2,6-dione CAS Name: 7-(1-cyclopropylethyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methylpurine-2,6-dione IUPAC Name: 7-(1-cyclopropylethyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methylpurine-2,6-dione Traditional Name: 7-(1-cyclopropylethyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-xanthine Formula: C19H20Cl2N4O2 MolecularWeight: 407.2937

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C(C)C3CC3)C(=O)N(C(=O)N2C4=C(C=C(C=C4)Cl)Cl)C

Isomeric SMILES

CCC1=NC2=C(N1C(C)C3CC3)C(=O)N(C(=O)N2C4=C(C=C(C=C4)Cl)Cl)C

InChI

InChI=1S/C19H20Cl2N4O2/c1-4-15-22-17-16(24(15)10(2)11-5-6-11)18(26)23(3)19(27)25(17)14-8-7-12(20)9-13(14)21/h7-11H,4-6H2,1-3H3