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

Systemtic Name: 2-[(3-ethyl-4-methyl-phenyl)amino]-7-(4-piperidin-1-ylbutyl)-3H-purin-6-one Openeye Name: 2-(3-ethyl-4-methyl-anilino)-7-[4-(1-piperidyl)butyl]-3H-purin-6-one CAS Name: 2-(3-ethyl-4-methylanilino)-7-[4-(1-piperidinyl)butyl]-3H-purin-6-one IUPAC Name: 2-(3-ethyl-4-methylanilino)-7-(4-piperidin-1-ylbutyl)-3H-purin-6-one Traditional Name: 2-(3-ethyl-4-methyl-anilino)-7-(4-piperidinobutyl)-3H-purin-6-one Formula: C23H32N6O MolecularWeight: 408.53978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NC2=NC(=O)C3=C(N2)N=CN3CCCCN4CCCCC4)C

Isomeric SMILES

CCC1=C(C=CC(=C1)NC2=NC(=O)C3=C(N2)N=CN3CCCCN4CCCCC4)C

InChI

InChI=1S/C23H32N6O/c1-3-18-15-19(10-9-17(18)2)25-23-26-21-20(22(30)27-23)29(16-24-21)14-8-7-13-28-11-5-4-6-12-28/h9-10,15-16H,3-8,11-14H2,1-2H3,(H2,25,26,27,30)