7-(phenylmethyl)-8-[2-(1-piperidin-4-ylethoxy)phenyl]carbonyl-3H-purine-2,6-dione hydrochloride

Systemtic Name: 7-(phenylmethyl)-8-[2-(1-piperidin-4-ylethoxy)phenyl]carbonyl-3H-purine-2,6-dione hydrochloride Openeye Name: 7-benzyl-8-[2-[1-(4-piperidyl)ethoxy]benzoyl]-3H-purine-2,6-dione hydrochloride CAS Name: 8-[oxo-[2-[1-(4-piperidinyl)ethoxy]phenyl]methyl]-7-(phenylmethyl)-3H-purine-2,6-dione hydrochloride IUPAC Name: 7-benzyl-8-[2-(1-piperidin-4-ylethoxy)benzoyl]-3H-purine-2,6-dione hydrochloride Traditional Name: 7-benzyl-8-[2-[1-(4-piperidyl)ethoxy]benzoyl]xanthine hydrochloride Formula: C26H28ClN5O4 MolecularWeight: 509.98462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCNCC1)OC2=CC=CC=C2C(=O)C3=NC4=C(N3CC5=CC=CC=C5)C(=O)NC(=O)N4.Cl

Isomeric SMILES

CC(C1CCNCC1)OC2=CC=CC=C2C(=O)C3=NC4=C(N3CC5=CC=CC=C5)C(=O)NC(=O)N4.Cl

InChI

InChI=1S/C26H27N5O4.ClH/c1-16(18-11-13-27-14-12-18)35-20-10-6-5-9-19(20)22(32)24-28-23-21(25(33)30-26(34)29-23)31(24)15-17-7-3-2-4-8-17;/h2-10,16,18,27H,11-15H2,1H3,(H2,29,30,33,34);1H