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

Systemtic Name: 2-phenylazanyl-9-[4-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butyl]-3H-purin-6-one dihydrochloride Openeye Name: 2-anilino-9-[4-[2-(1-piperidylmethyl)pyrrolidin-1-yl]butyl]-3H-purin-6-one dihydrochloride CAS Name: 2-anilino-9-[4-[2-(1-piperidinylmethyl)-1-pyrrolidinyl]butyl]-3H-purin-6-one dihydrochloride IUPAC Name: 2-anilino-9-[4-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butyl]-3H-purin-6-one dihydrochloride Traditional Name: 2-anilino-9-[4-[2-(piperidinomethyl)pyrrolidino]butyl]-3H-purin-6-one dihydrochloride Formula: C25H37Cl2N7O MolecularWeight: 522.51358

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2CCCN2CCCCN3C=NC4=C3NC(=NC4=O)NC5=CC=CC=C5.Cl.Cl

Isomeric SMILES

C1CCN(CC1)CC2CCCN2CCCCN3C=NC4=C3NC(=NC4=O)NC5=CC=CC=C5.Cl.Cl

InChI

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