3-(2-chloranyl-4-methoxy-phenyl)-7-(1-cyclopropylbutyl)-8-ethyl-1-methyl-2H-purin-6-one

Systemtic Name: 3-(2-chloranyl-4-methoxy-phenyl)-7-(1-cyclopropylbutyl)-8-ethyl-1-methyl-2H-purin-6-one Openeye Name: 3-(2-chloro-4-methoxy-phenyl)-7-(1-cyclopropylbutyl)-8-ethyl-1-methyl-2H-purin-6-one CAS Name: 3-(2-chloro-4-methoxyphenyl)-7-(1-cyclopropylbutyl)-8-ethyl-1-methyl-2H-purin-6-one IUPAC Name: 3-(2-chloro-4-methoxyphenyl)-7-(1-cyclopropylbutyl)-8-ethyl-1-methyl-2H-purin-6-one Traditional Name: 3-(2-chloro-4-methoxy-phenyl)-7-(1-cyclopropylbutyl)-8-ethyl-1-methyl-2H-purin-6-one Formula: C22H29ClN4O2 MolecularWeight: 416.94426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN4O2/c1-5-7-17(14-8-9-14)27-19(6-2)24-21-20(27)22(28)25(3)13-26(21)18-11-10-15(29-4)12-16(18)23/h10-12,14,17H,5-9,13H2,1-4H3