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

Systemtic Name: 3-(2,4-dichlorophenyl)-8-methoxy-1-methyl-7-pentan-3-yl-purine-2,6-dione Openeye Name: 3-(2,4-dichlorophenyl)-7-(1-ethylpropyl)-8-methoxy-1-methyl-purine-2,6-dione CAS Name: 3-(2,4-dichlorophenyl)-8-methoxy-1-methyl-7-pentan-3-ylpurine-2,6-dione IUPAC Name: 3-(2,4-dichlorophenyl)-8-methoxy-1-methyl-7-pentan-3-ylpurine-2,6-dione Traditional Name: 3-(2,4-dichlorophenyl)-7-(1-ethylpropyl)-8-methoxy-1-methyl-xanthine Formula: C18H20Cl2N4O3 MolecularWeight: 411.2824

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C2=C(N=C1OC)N(C(=O)N(C2=O)C)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCC(CC)N1C2=C(N=C1OC)N(C(=O)N(C2=O)C)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H20Cl2N4O3/c1-5-11(6-2)23-14-15(21-17(23)27-4)24(18(26)22(3)16(14)25)13-8-7-10(19)9-12(13)20/h7-9,11H,5-6H2,1-4H3