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

Systemtic Name: 2-phenylazanyl-9-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]-3H-purin-6-one dihydrochloride Openeye Name: 2-anilino-9-[4-[4-(1-piperidyl)-1-piperidyl]butyl]-3H-purin-6-one dihydrochloride CAS Name: 2-anilino-9-[4-[4-(1-piperidinyl)-1-piperidinyl]butyl]-3H-purin-6-one dihydrochloride IUPAC Name: 2-anilino-9-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]-3H-purin-6-one dihydrochloride Traditional Name: 2-anilino-9-[4-(4-piperidinopiperidino)butyl]-3H-purin-6-one dihydrochloride Formula: C25H37Cl2N7O MolecularWeight: 522.51358

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)CCCCN3C=NC4=C3NC(=NC4=O)NC5=CC=CC=C5.Cl.Cl

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)CCCCN3C=NC4=C3NC(=NC4=O)NC5=CC=CC=C5.Cl.Cl

InChI

InChI=1S/C25H35N7O.2ClH/c33-24-22-23(28-25(29-24)27-20-9-3-1-4-10-20)32(19-26-22)16-8-7-13-30-17-11-21(12-18-30)31-14-5-2-6-15-31;;/h1,3-4,9-10,19,21H,2,5-8,11-18H2,(H2,27,28,29,33);2*1H