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

Systemtic Name: 2-[(3-ethyl-4-methyl-phenyl)amino]-7-(4-piperazin-1-ylbutyl)-3H-purin-6-one Openeye Name: 2-(3-ethyl-4-methyl-anilino)-7-(4-piperazin-1-ylbutyl)-3H-purin-6-one CAS Name: 2-(3-ethyl-4-methylanilino)-7-[4-(1-piperazinyl)butyl]-3H-purin-6-one IUPAC Name: 2-(3-ethyl-4-methylanilino)-7-(4-piperazin-1-ylbutyl)-3H-purin-6-one Traditional Name: 2-(3-ethyl-4-methyl-anilino)-7-(4-piperazinobutyl)-3H-purin-6-one Formula: C22H31N7O MolecularWeight: 409.52784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NC2=NC(=O)C3=C(N2)N=CN3CCCCN4CCNCC4)C

Isomeric SMILES

CCC1=C(C=CC(=C1)NC2=NC(=O)C3=C(N2)N=CN3CCCCN4CCNCC4)C

InChI

InChI=1S/C22H31N7O/c1-3-17-14-18(7-6-16(17)2)25-22-26-20-19(21(30)27-22)29(15-24-20)11-5-4-10-28-12-8-23-9-13-28/h6-7,14-15,23H,3-5,8-13H2,1-2H3,(H2,25,26,27,30)