3-(2,4-dichlorophenyl)-8-ethyl-7-heptan-4-yl-1,2-dimethyl-2H-purin-6-one

Systemtic Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-heptan-4-yl-1,2-dimethyl-2H-purin-6-one Openeye Name: 3-(2,4-dichlorophenyl)-8-ethyl-1,2-dimethyl-7-(1-propylbutyl)-2H-purin-6-one CAS Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-heptan-4-yl-1,2-dimethyl-2H-purin-6-one IUPAC Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-heptan-4-yl-1,2-dimethyl-2H-purin-6-one Traditional Name: 3-(2,4-dichlorophenyl)-8-ethyl-1,2-dimethyl-7-(1-propylbutyl)-2H-purin-6-one Formula: C22H30Cl2N4O MolecularWeight: 437.4058

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N1C(=NC2=C1C(=O)N(C(N2C3=C(C=C(C=C3)Cl)Cl)C)C)CC

Isomeric SMILES

CCCC(CCC)N1C(=NC2=C1C(=O)N(C(N2C3=C(C=C(C=C3)Cl)Cl)C)C)CC

InChI

InChI=1S/C22H30Cl2N4O/c1-6-9-16(10-7-2)28-19(8-3)25-21-20(28)22(29)26(5)14(4)27(21)18-12-11-15(23)13-17(18)24/h11-14,16H,6-10H2,1-5H3