1-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]carbonyl-7-(phenylmethyl)-3H-purine-2,6-dione

Systemtic Name: 1-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]carbonyl-7-(phenylmethyl)-3H-purine-2,6-dione Openeye Name: 7-benzyl-1-[4-[2-(1-methyl-2-piperidyl)ethoxy]benzoyl]-3H-purine-2,6-dione CAS Name: 1-[[4-[2-(1-methyl-2-piperidinyl)ethoxy]phenyl]-oxomethyl]-7-(phenylmethyl)-3H-purine-2,6-dione IUPAC Name: 7-benzyl-1-[4-[2-(1-methylpiperidin-2-yl)ethoxy]benzoyl]-3H-purine-2,6-dione Traditional Name: 7-benzyl-1-[4-[2-(1-methyl-2-piperidyl)ethoxy]benzoyl]xanthine Formula: C27H29N5O4 MolecularWeight: 487.55026

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC1CCOC2=CC=C(C=C2)C(=O)N3C(=O)C4=C(NC3=O)N=CN4CC5=CC=CC=C5

Isomeric SMILES

CN1CCCCC1CCOC2=CC=C(C=C2)C(=O)N3C(=O)C4=C(NC3=O)N=CN4CC5=CC=CC=C5

InChI

InChI=1S/C27H29N5O4/c1-30-15-6-5-9-21(30)14-16-36-22-12-10-20(11-13-22)25(33)32-26(34)23-24(29-27(32)35)28-18-31(23)17-19-7-3-2-4-8-19/h2-4,7-8,10-13,18,21H,5-6,9,14-17H2,1H3,(H,29,35)