2-methyl-9-pentan-3-yl-6-[(2,4,6-trimethylphenyl)amino]-7H-purin-8-one

Systemtic Name: 2-methyl-9-pentan-3-yl-6-[(2,4,6-trimethylphenyl)amino]-7H-purin-8-one Openeye Name: 9-(1-ethylpropyl)-2-methyl-6-(2,4,6-trimethylanilino)-7H-purin-8-one CAS Name: 2-methyl-9-pentan-3-yl-6-(2,4,6-trimethylanilino)-7H-purin-8-one IUPAC Name: 2-methyl-9-pentan-3-yl-6-(2,4,6-trimethylanilino)-7H-purin-8-one Traditional Name: 9-(1-ethylpropyl)-6-mesidino-2-methyl-7H-purin-8-one Formula: C20H27N5O MolecularWeight: 353.46128

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C2=C(C(=NC(=N2)C)NC3=C(C=C(C=C3C)C)C)NC1=O

Isomeric SMILES

CCC(CC)N1C2=C(C(=NC(=N2)C)NC3=C(C=C(C=C3C)C)C)NC1=O

InChI

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