7-(5-ethoxypentyl)-2-[(3-ethyl-4-methyl-phenyl)methylamino]-3H-purin-6-one

Systemtic Name: 7-(5-ethoxypentyl)-2-[(3-ethyl-4-methyl-phenyl)methylamino]-3H-purin-6-one Openeye Name: 7-(5-ethoxypentyl)-2-[(3-ethyl-4-methyl-phenyl)methylamino]-3H-purin-6-one CAS Name: 7-(5-ethoxypentyl)-2-[(3-ethyl-4-methylphenyl)methylamino]-3H-purin-6-one IUPAC Name: 7-(5-ethoxypentyl)-2-[(3-ethyl-4-methylphenyl)methylamino]-3H-purin-6-one Traditional Name: 7-(5-ethoxypentyl)-2-[(3-ethyl-4-methyl-benzyl)amino]-3H-purin-6-one Formula: C22H31N5O2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)CNC2=NC(=O)C3=C(N2)N=CN3CCCCCOCC)C

Isomeric SMILES

CCC1=C(C=CC(=C1)CNC2=NC(=O)C3=C(N2)N=CN3CCCCCOCC)C

InChI

InChI=1S/C22H31N5O2/c1-4-18-13-17(10-9-16(18)3)14-23-22-25-20-19(21(28)26-22)27(15-24-20)11-7-6-8-12-29-5-2/h9-10,13,15H,4-8,11-12,14H2,1-3H3,(H2,23,25,26,28)