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

Systemtic Name: 8-ethyl-7-heptan-3-yl-1-methyl-3-(2,4,6-trimethylphenyl)-2H-purin-6-one Openeye Name: 8-ethyl-7-(1-ethylpentyl)-1-methyl-3-(2,4,6-trimethylphenyl)-2H-purin-6-one CAS Name: 8-ethyl-7-heptan-3-yl-1-methyl-3-(2,4,6-trimethylphenyl)-2H-purin-6-one IUPAC Name: 8-ethyl-7-heptan-3-yl-1-methyl-3-(2,4,6-trimethylphenyl)-2H-purin-6-one Traditional Name: 8-ethyl-7-(1-ethylpentyl)-3-mesityl-1-methyl-2H-purin-6-one Formula: C24H36N4O MolecularWeight: 396.56884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)N1C(=NC2=C1C(=O)N(CN2C3=C(C=C(C=C3C)C)C)C)CC

Isomeric SMILES

CCCCC(CC)N1C(=NC2=C1C(=O)N(CN2C3=C(C=C(C=C3C)C)C)C)CC

InChI

InChI=1S/C24H36N4O/c1-8-11-12-19(9-2)28-20(10-3)25-23-22(28)24(29)26(7)15-27(23)21-17(5)13-16(4)14-18(21)6/h13-14,19H,8-12,15H2,1-7H3