2-[(3-ethyl-4-methyl-phenyl)methylamino]-7-(4-piperazin-1-ylbutyl)-3H-purin-6-one

Systemtic Name: 2-[(3-ethyl-4-methyl-phenyl)methylamino]-7-(4-piperazin-1-ylbutyl)-3H-purin-6-one Openeye Name: 2-[(3-ethyl-4-methyl-phenyl)methylamino]-7-(4-piperazin-1-ylbutyl)-3H-purin-6-one CAS Name: 2-[(3-ethyl-4-methylphenyl)methylamino]-7-[4-(1-piperazinyl)butyl]-3H-purin-6-one IUPAC Name: 2-[(3-ethyl-4-methylphenyl)methylamino]-7-(4-piperazin-1-ylbutyl)-3H-purin-6-one Traditional Name: 2-[(3-ethyl-4-methyl-benzyl)amino]-7-(4-piperazinobutyl)-3H-purin-6-one Formula: C23H33N7O MolecularWeight: 423.55442

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)CNC2=NC(=O)C3=C(N2)N=CN3CCCCN4CCNCC4)C

Isomeric SMILES

CCC1=C(C=CC(=C1)CNC2=NC(=O)C3=C(N2)N=CN3CCCCN4CCNCC4)C

InChI

InChI=1S/C23H33N7O/c1-3-19-14-18(7-6-17(19)2)15-25-23-27-21-20(22(31)28-23)30(16-26-21)11-5-4-10-29-12-8-24-9-13-29/h6-7,14,16,24H,3-5,8-13,15H2,1-2H3,(H2,25,27,28,31)