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

Systemtic Name: 2-[(3-ethyl-4-methyl-phenyl)methylamino]-7-(5-propoxypentyl)-3H-purin-6-one Openeye Name: 2-[(3-ethyl-4-methyl-phenyl)methylamino]-7-(5-propoxypentyl)-3H-purin-6-one CAS Name: 2-[(3-ethyl-4-methylphenyl)methylamino]-7-(5-propoxypentyl)-3H-purin-6-one IUPAC Name: 2-[(3-ethyl-4-methylphenyl)methylamino]-7-(5-propoxypentyl)-3H-purin-6-one Traditional Name: 2-[(3-ethyl-4-methyl-benzyl)amino]-7-(5-propoxypentyl)-3H-purin-6-one Formula: C23H33N5O2 MolecularWeight: 411.54042

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCCCCN1C=NC2=C1C(=O)N=C(N2)NCC3=CC(=C(C=C3)C)CC

Isomeric SMILES

CCCOCCCCCN1C=NC2=C1C(=O)N=C(N2)NCC3=CC(=C(C=C3)C)CC

InChI

InChI=1S/C23H33N5O2/c1-4-12-30-13-8-6-7-11-28-16-25-21-20(28)22(29)27-23(26-21)24-15-18-10-9-17(3)19(5-2)14-18/h9-10,14,16H,4-8,11-13,15H2,1-3H3,(H2,24,26,27,29)