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

Systemtic Name: 1-cyclopropyl-3-(2,4-dichlorophenyl)-8-ethyl-7-pentan-3-yl-purine-2,6-dione Openeye Name: 1-cyclopropyl-3-(2,4-dichlorophenyl)-8-ethyl-7-(1-ethylpropyl)purine-2,6-dione CAS Name: 1-cyclopropyl-3-(2,4-dichlorophenyl)-8-ethyl-7-pentan-3-ylpurine-2,6-dione IUPAC Name: 1-cyclopropyl-3-(2,4-dichlorophenyl)-8-ethyl-7-pentan-3-ylpurine-2,6-dione Traditional Name: 1-cyclopropyl-3-(2,4-dichlorophenyl)-8-ethyl-7-(1-ethylpropyl)xanthine Formula: C21H24Cl2N4O2 MolecularWeight: 435.34686

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C(CC)CC)C(=O)N(C(=O)N2C3=C(C=C(C=C3)Cl)Cl)C4CC4

Isomeric SMILES

CCC1=NC2=C(N1C(CC)CC)C(=O)N(C(=O)N2C3=C(C=C(C=C3)Cl)Cl)C4CC4

InChI

InChI=1S/C21H24Cl2N4O2/c1-4-13(5-2)25-17(6-3)24-19-18(25)20(28)26(14-8-9-14)21(29)27(19)16-10-7-12(22)11-15(16)23/h7,10-11,13-14H,4-6,8-9H2,1-3H3