3-(2,4-dichlorophenyl)-2,8-diethyl-1-methyl-7-pentan-3-yl-2H-purin-6-one

Systemtic Name: 3-(2,4-dichlorophenyl)-2,8-diethyl-1-methyl-7-pentan-3-yl-2H-purin-6-one Openeye Name: 3-(2,4-dichlorophenyl)-2,8-diethyl-7-(1-ethylpropyl)-1-methyl-2H-purin-6-one CAS Name: 3-(2,4-dichlorophenyl)-2,8-diethyl-1-methyl-7-pentan-3-yl-2H-purin-6-one IUPAC Name: 3-(2,4-dichlorophenyl)-2,8-diethyl-1-methyl-7-pentan-3-yl-2H-purin-6-one Traditional Name: 3-(2,4-dichlorophenyl)-2,8-diethyl-7-(1-ethylpropyl)-1-methyl-2H-purin-6-one Formula: C21H28Cl2N4O MolecularWeight: 423.37922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1N(C(=O)C2=C(N1C3=C(C=C(C=C3)Cl)Cl)N=C(N2C(CC)CC)CC)C

Isomeric SMILES

CCC1N(C(=O)C2=C(N1C3=C(C=C(C=C3)Cl)Cl)N=C(N2C(CC)CC)CC)C

InChI

InChI=1S/C21H28Cl2N4O/c1-6-14(7-2)26-17(8-3)24-20-19(26)21(28)25(5)18(9-4)27(20)16-11-10-13(22)12-15(16)23/h10-12,14,18H,6-9H2,1-5H3