3-(2-methoxyethyl)-7-(phenylmethyl)-8-(4-piperidin-1-ylphenyl)purine-2,6-dione

Systemtic Name: 3-(2-methoxyethyl)-7-(phenylmethyl)-8-(4-piperidin-1-ylphenyl)purine-2,6-dione Openeye Name: 7-benzyl-3-(2-methoxyethyl)-8-[4-(1-piperidyl)phenyl]purine-2,6-dione CAS Name: 3-(2-methoxyethyl)-7-(phenylmethyl)-8-[4-(1-piperidinyl)phenyl]purine-2,6-dione IUPAC Name: 7-benzyl-3-(2-methoxyethyl)-8-(4-piperidin-1-ylphenyl)purine-2,6-dione Traditional Name: 7-benzyl-3-(2-methoxyethyl)-8-(4-piperidinophenyl)xanthine Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)N4CCCCC4)CC5=CC=CC=C5

Isomeric SMILES

COCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)N4CCCCC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H29N5O3/c1-34-17-16-30-24-22(25(32)28-26(30)33)31(18-19-8-4-2-5-9-19)23(27-24)20-10-12-21(13-11-20)29-14-6-3-7-15-29/h2,4-5,8-13H,3,6-7,14-18H2,1H3,(H,28,32,33)