2-methyl-6-(pentan-3-ylamino)-7-(2,4,6-trimethylphenyl)-9H-purin-8-one

Systemtic Name: 2-methyl-6-(pentan-3-ylamino)-7-(2,4,6-trimethylphenyl)-9H-purin-8-one Openeye Name: 6-(1-ethylpropylamino)-2-methyl-7-(2,4,6-trimethylphenyl)-9H-purin-8-one CAS Name: 2-methyl-6-(pentan-3-ylamino)-7-(2,4,6-trimethylphenyl)-9H-purin-8-one IUPAC Name: 2-methyl-6-(pentan-3-ylamino)-7-(2,4,6-trimethylphenyl)-9H-purin-8-one Traditional Name: 6-(1-ethylpropylamino)-7-mesityl-2-methyl-9H-purin-8-one Formula: C20H27N5O MolecularWeight: 353.46128

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=NC(=NC2=C1N(C(=O)N2)C3=C(C=C(C=C3C)C)C)C

Isomeric SMILES

CCC(CC)NC1=NC(=NC2=C1N(C(=O)N2)C3=C(C=C(C=C3C)C)C)C

InChI

InChI=1S/C20H27N5O/c1-7-15(8-2)23-18-17-19(22-14(6)21-18)24-20(26)25(17)16-12(4)9-11(3)10-13(16)5/h9-10,15H,7-8H2,1-6H3,(H2,21,22,23,24,26)