1-ethyl-7-(furan-2-ylmethyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-ethyl-7-(furan-2-ylmethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-ethyl-7-(2-furylmethyl)purine-2,6-dione CAS Name: 1-ethyl-7-(2-furanylmethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-ethyl-7-(furan-2-ylmethyl)purine-2,6-dione Traditional Name: 3-benzyl-1-ethyl-7-(2-furfuryl)xanthine Formula: C19H18N4O3 MolecularWeight: 350.37122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=CN2CC3=CC=CO3)N(C1=O)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=O)C2=C(N=CN2CC3=CC=CO3)N(C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C19H18N4O3/c1-2-22-18(24)16-17(20-13-21(16)12-15-9-6-10-26-15)23(19(22)25)11-14-7-4-3-5-8-14/h3-10,13H,2,11-12H2,1H3