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

Systemtic Name: 9-[4-[2-(2-hydroxyethyl)piperidin-1-yl]butyl]-2-phenylazanyl-3H-purin-6-one dihydrochloride Openeye Name: 2-anilino-9-[4-[2-(2-hydroxyethyl)-1-piperidyl]butyl]-3H-purin-6-one dihydrochloride CAS Name: 2-anilino-9-[4-[2-(2-hydroxyethyl)-1-piperidinyl]butyl]-3H-purin-6-one dihydrochloride IUPAC Name: 2-anilino-9-[4-[2-(2-hydroxyethyl)piperidin-1-yl]butyl]-3H-purin-6-one dihydrochloride Traditional Name: 2-anilino-9-[4-[2-(2-hydroxyethyl)piperidino]butyl]-3H-purin-6-one dihydrochloride Formula: C22H32Cl2N6O2 MolecularWeight: 483.43448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCO)CCCCN2C=NC3=C2NC(=NC3=O)NC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

C1CCN(C(C1)CCO)CCCCN2C=NC3=C2NC(=NC3=O)NC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C22H30N6O2.2ClH/c29-15-11-18-10-4-5-12-27(18)13-6-7-14-28-16-23-19-20(28)25-22(26-21(19)30)24-17-8-2-1-3-9-17;;/h1-3,8-9,16,18,29H,4-7,10-15H2,(H2,24,25,26,30);2*1H