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

Systemtic Name: 3-(2-chloranyl-4-methoxy-phenyl)-8-ethyl-7-(1-methoxypentan-2-yl)-1-methyl-2H-purin-6-one Openeye Name: 3-(2-chloro-4-methoxy-phenyl)-8-ethyl-7-[1-(methoxymethyl)butyl]-1-methyl-2H-purin-6-one CAS Name: 3-(2-chloro-4-methoxyphenyl)-8-ethyl-7-(1-methoxypentan-2-yl)-1-methyl-2H-purin-6-one IUPAC Name: 3-(2-chloro-4-methoxyphenyl)-8-ethyl-7-(1-methoxypentan-2-yl)-1-methyl-2H-purin-6-one Traditional Name: 3-(2-chloro-4-methoxy-phenyl)-8-ethyl-7-[1-(methoxymethyl)butyl]-1-methyl-2H-purin-6-one Formula: C21H29ClN4O3 MolecularWeight: 420.93296

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(COC)N1C(=NC2=C1C(=O)N(CN2C3=C(C=C(C=C3)OC)Cl)C)CC

Isomeric SMILES

CCCC(COC)N1C(=NC2=C1C(=O)N(CN2C3=C(C=C(C=C3)OC)Cl)C)CC

InChI

InChI=1S/C21H29ClN4O3/c1-6-8-14(12-28-4)26-18(7-2)23-20-19(26)21(27)24(3)13-25(20)17-10-9-15(29-5)11-16(17)22/h9-11,14H,6-8,12-13H2,1-5H3