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

Systemtic Name: 3-(2-chloranyl-4-methoxy-phenyl)-8-ethyl-7-heptan-3-yl-1-methyl-2H-purin-6-one Openeye Name: 3-(2-chloro-4-methoxy-phenyl)-8-ethyl-7-(1-ethylpentyl)-1-methyl-2H-purin-6-one CAS Name: 3-(2-chloro-4-methoxyphenyl)-8-ethyl-7-heptan-3-yl-1-methyl-2H-purin-6-one IUPAC Name: 3-(2-chloro-4-methoxyphenyl)-8-ethyl-7-heptan-3-yl-1-methyl-2H-purin-6-one Traditional Name: 3-(2-chloro-4-methoxy-phenyl)-8-ethyl-7-(1-ethylpentyl)-1-methyl-2H-purin-6-one Formula: C22H31ClN4O2 MolecularWeight: 418.96014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31ClN4O2/c1-6-9-10-15(7-2)27-19(8-3)24-21-20(27)22(28)25(4)14-26(21)18-12-11-16(29-5)13-17(18)23/h11-13,15H,6-10,14H2,1-5H3