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

Systemtic Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-hepta-1,6-dien-4-yl-1-methyl-purine-2,6-dione Openeye Name: 7-(1-allylbut-3-enyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-purine-2,6-dione CAS Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-hepta-1,6-dien-4-yl-1-methylpurine-2,6-dione IUPAC Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-hepta-1,6-dien-4-yl-1-methylpurine-2,6-dione Traditional Name: 7-(1-allylbut-3-enyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-xanthine Formula: C21H22Cl2N4O2 MolecularWeight: 433.33098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl2N4O2/c1-5-8-14(9-6-2)26-17(7-3)24-19-18(26)20(28)25(4)21(29)27(19)16-11-10-13(22)12-15(16)23/h5-6,10-12,14H,1-2,7-9H2,3-4H3