7-ethyl-3-(phenylmethyl)-8-pyridin-4-yl-purine-2,6-dione

Systemtic Name: 7-ethyl-3-(phenylmethyl)-8-pyridin-4-yl-purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-8-(4-pyridyl)purine-2,6-dione CAS Name: 7-ethyl-3-(phenylmethyl)-8-pyridin-4-ylpurine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-8-pyridin-4-ylpurine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-8-(4-pyridyl)xanthine Formula: C19H17N5O2 MolecularWeight: 347.37058

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1C3=CC=NC=C3)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(N=C1C3=CC=NC=C3)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C19H17N5O2/c1-2-23-15-17(21-16(23)14-8-10-20-11-9-14)24(19(26)22-18(15)25)12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,22,25,26)