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

Systemtic Name: 7-(1-cyclopropylbutyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-2H-purin-6-one Openeye Name: 7-(1-cyclopropylbutyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-2H-purin-6-one CAS Name: 7-(1-cyclopropylbutyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-2H-purin-6-one IUPAC Name: 7-(1-cyclopropylbutyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-2H-purin-6-one Traditional Name: 7-(1-cyclopropylbutyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-2H-purin-6-one Formula: C21H26Cl2N4O MolecularWeight: 421.36334

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CC1)N2C(=NC3=C2C(=O)N(CN3C4=C(C=C(C=C4)Cl)Cl)C)CC

Isomeric SMILES

CCCC(C1CC1)N2C(=NC3=C2C(=O)N(CN3C4=C(C=C(C=C4)Cl)Cl)C)CC

InChI

InChI=1S/C21H26Cl2N4O/c1-4-6-16(13-7-8-13)27-18(5-2)24-20-19(27)21(28)25(3)12-26(20)17-10-9-14(22)11-15(17)23/h9-11,13,16H,4-8,12H2,1-3H3