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

Systemtic Name: 9-[4-(3-oxidanylpiperidin-1-yl)butyl]-2-phenylazanyl-3H-purin-6-one dihydrochloride Openeye Name: 2-anilino-9-[4-(3-hydroxy-1-piperidyl)butyl]-3H-purin-6-one dihydrochloride CAS Name: 2-anilino-9-[4-(3-hydroxy-1-piperidinyl)butyl]-3H-purin-6-one dihydrochloride IUPAC Name: 2-anilino-9-[4-(3-hydroxypiperidin-1-yl)butyl]-3H-purin-6-one dihydrochloride Traditional Name: 2-anilino-9-[4-(3-hydroxypiperidino)butyl]-3H-purin-6-one dihydrochloride Formula: C20H28Cl2N6O2 MolecularWeight: 455.38132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCCCN2C=NC3=C2NC(=NC3=O)NC4=CC=CC=C4)O.Cl.Cl

Isomeric SMILES

C1CC(CN(C1)CCCCN2C=NC3=C2NC(=NC3=O)NC4=CC=CC=C4)O.Cl.Cl

InChI

InChI=1S/C20H26N6O2.2ClH/c27-16-9-6-11-25(13-16)10-4-5-12-26-14-21-17-18(26)23-20(24-19(17)28)22-15-7-2-1-3-8-15;;/h1-3,7-8,14,16,27H,4-6,9-13H2,(H2,22,23,24,28);2*1H