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

Systemtic Name: 2-phenylazanyl-9-[4-(2-phenylpiperidin-1-yl)butyl]-3H-purin-6-one dichloride Openeye Name: 2-anilino-9-[4-(2-phenyl-1-piperidyl)butyl]-3H-purin-6-one dichloride CAS Name: 2-anilino-9-[4-(2-phenyl-1-piperidinyl)butyl]-3H-purin-6-one dichloride IUPAC Name: 2-anilino-9-[4-(2-phenylpiperidin-1-yl)butyl]-3H-purin-6-one dichloride Traditional Name: 2-anilino-9-[4-(2-phenylpiperidino)butyl]-3H-purin-6-one dichloride Formula: C26H30Cl2N6O-2 MolecularWeight: 513.462

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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/p-2