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

Systemtic Name: 2-[(3-ethyl-4-methyl-phenyl)methylamino]-7-(4-oxidanylbutyl)-3H-purin-6-one Openeye Name: 2-[(3-ethyl-4-methyl-phenyl)methylamino]-7-(4-hydroxybutyl)-3H-purin-6-one CAS Name: 2-[(3-ethyl-4-methylphenyl)methylamino]-7-(4-hydroxybutyl)-3H-purin-6-one IUPAC Name: 2-[(3-ethyl-4-methylphenyl)methylamino]-7-(4-hydroxybutyl)-3H-purin-6-one Traditional Name: 2-[(3-ethyl-4-methyl-benzyl)amino]-7-(4-hydroxybutyl)-3H-purin-6-one Formula: C19H25N5O2 MolecularWeight: 355.4341

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)CNC2=NC(=O)C3=C(N2)N=CN3CCCCO)C

Isomeric SMILES

CCC1=C(C=CC(=C1)CNC2=NC(=O)C3=C(N2)N=CN3CCCCO)C

InChI

InChI=1S/C19H25N5O2/c1-3-15-10-14(7-6-13(15)2)11-20-19-22-17-16(18(26)23-19)24(12-21-17)8-4-5-9-25/h6-7,10,12,25H,3-5,8-9,11H2,1-2H3,(H2,20,22,23,26)