7-ethyl-1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-ethyl-1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-1-[2-oxo-2-(1-piperidyl)ethyl]purine-2,6-dione CAS Name: 7-ethyl-1-[2-oxo-2-(1-piperidinyl)ethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-1-(2-oxo-2-piperidin-1-ylethyl)purine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-1-(2-keto-2-piperidino-ethyl)xanthine Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCCCC4

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCCCC4

InChI

InChI=1S/C21H25N5O3/c1-2-23-15-22-19-18(23)20(28)26(14-17(27)24-11-7-4-8-12-24)21(29)25(19)13-16-9-5-3-6-10-16/h3,5-6,9-10,15H,2,4,7-8,11-14H2,1H3