2-phenylazanyl-9-[4-(2-phenylpiperidin-1-yl)butyl]-3H-purin-6-one dihydrochloride

Systemtic Name: 2-phenylazanyl-9-[4-(2-phenylpiperidin-1-yl)butyl]-3H-purin-6-one dihydrochloride Openeye Name: 2-anilino-9-[4-(2-phenyl-1-piperidyl)butyl]-3H-purin-6-one dihydrochloride CAS Name: 2-anilino-9-[4-(2-phenyl-1-piperidinyl)butyl]-3H-purin-6-one dihydrochloride IUPAC Name: 2-anilino-9-[4-(2-phenylpiperidin-1-yl)butyl]-3H-purin-6-one dihydrochloride Traditional Name: 2-anilino-9-[4-(2-phenylpiperidino)butyl]-3H-purin-6-one dihydrochloride Formula: C26H32Cl2N6O MolecularWeight: 515.47788

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=CC=CC=C2)CCCCN3C=NC4=C3NC(=NC4=O)NC5=CC=CC=C5.Cl.Cl

Isomeric SMILES

C1CCN(C(C1)C2=CC=CC=C2)CCCCN3C=NC4=C3NC(=NC4=O)NC5=CC=CC=C5.Cl.Cl

InChI

InChI=1S/C26H30N6O.2ClH/c33-25-23-24(29-26(30-25)28-21-13-5-2-6-14-21)32(19-27-23)18-10-9-17-31-16-8-7-15-22(31)20-11-3-1-4-12-20;;/h1-6,11-14,19,22H,7-10,15-18H2,(H2,28,29,30,33);2*1H