2-[(3-ethyl-4-methyl-phenyl)methylamino]-7-(4-methoxybutyl)-3H-purin-6-one

Systemtic Name: 2-[(3-ethyl-4-methyl-phenyl)methylamino]-7-(4-methoxybutyl)-3H-purin-6-one Openeye Name: 2-[(3-ethyl-4-methyl-phenyl)methylamino]-7-(4-methoxybutyl)-3H-purin-6-one CAS Name: 2-[(3-ethyl-4-methylphenyl)methylamino]-7-(4-methoxybutyl)-3H-purin-6-one IUPAC Name: 2-[(3-ethyl-4-methylphenyl)methylamino]-7-(4-methoxybutyl)-3H-purin-6-one Traditional Name: 2-[(3-ethyl-4-methyl-benzyl)amino]-7-(4-methoxybutyl)-3H-purin-6-one Formula: C20H27N5O2 MolecularWeight: 369.46068

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)CNC2=NC(=O)C3=C(N2)N=CN3CCCCOC)C

Isomeric SMILES

CCC1=C(C=CC(=C1)CNC2=NC(=O)C3=C(N2)N=CN3CCCCOC)C

InChI

InChI=1S/C20H27N5O2/c1-4-16-11-15(8-7-14(16)2)12-21-20-23-18-17(19(26)24-20)25(13-22-18)9-5-6-10-27-3/h7-8,11,13H,4-6,9-10,12H2,1-3H3,(H2,21,23,24,26)