7-[2-oxidanylidene-1-phenyl-2-[4-(piperidin-4-ylmethoxy)phenyl]ethyl]-3H-purine-2,6-dione hydrochloride

Systemtic Name: 7-[2-oxidanylidene-1-phenyl-2-[4-(piperidin-4-ylmethoxy)phenyl]ethyl]-3H-purine-2,6-dione hydrochloride Openeye Name: 7-[2-oxo-1-phenyl-2-[4-(4-piperidylmethoxy)phenyl]ethyl]-3H-purine-2,6-dione hydrochloride CAS Name: 7-[2-oxo-1-phenyl-2-[4-(4-piperidinylmethoxy)phenyl]ethyl]-3H-purine-2,6-dione hydrochloride IUPAC Name: 7-[2-oxo-1-phenyl-2-[4-(piperidin-4-ylmethoxy)phenyl]ethyl]-3H-purine-2,6-dione hydrochloride Traditional Name: 7-[2-keto-1-phenyl-2-[4-(4-piperidylmethoxy)phenyl]ethyl]xanthine hydrochloride Formula: C25H26ClN5O4 MolecularWeight: 495.95804

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1COC2=CC=C(C=C2)C(=O)C(C3=CC=CC=C3)N4C=NC5=C4C(=O)NC(=O)N5.Cl

Isomeric SMILES

C1CNCCC1COC2=CC=C(C=C2)C(=O)C(C3=CC=CC=C3)N4C=NC5=C4C(=O)NC(=O)N5.Cl

InChI

InChI=1S/C25H25N5O4.ClH/c31-22(18-6-8-19(9-7-18)34-14-16-10-12-26-13-11-16)20(17-4-2-1-3-5-17)30-15-27-23-21(30)24(32)29-25(33)28-23;/h1-9,15-16,20,26H,10-14H2,(H2,28,29,32,33);1H