3-(2,4-dichlorophenyl)-8-ethyl-7-hepta-1,6-dien-4-yl-1-methyl-2H-purin-6-one

Systemtic Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-hepta-1,6-dien-4-yl-1-methyl-2H-purin-6-one Openeye Name: 7-(1-allylbut-3-enyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-2H-purin-6-one CAS Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-hepta-1,6-dien-4-yl-1-methyl-2H-purin-6-one IUPAC Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-hepta-1,6-dien-4-yl-1-methyl-2H-purin-6-one Traditional Name: 7-(1-allylbut-3-enyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-2H-purin-6-one Formula: C21H24Cl2N4O MolecularWeight: 419.34746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C(CC=C)CC=C)C(=O)N(CN2C3=C(C=C(C=C3)Cl)Cl)C

Isomeric SMILES

CCC1=NC2=C(N1C(CC=C)CC=C)C(=O)N(CN2C3=C(C=C(C=C3)Cl)Cl)C

InChI

InChI=1S/C21H24Cl2N4O/c1-5-8-15(9-6-2)27-18(7-3)24-20-19(27)21(28)25(4)13-26(20)17-11-10-14(22)12-16(17)23/h5-6,10-12,15H,1-2,7-9,13H2,3-4H3