1,3-dimethyl-7-(phenylmethyl)-8-prop-2-ynoxy-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(phenylmethyl)-8-prop-2-ynoxy-purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-prop-2-ynoxy-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(phenylmethyl)-8-prop-2-ynoxypurine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-prop-2-ynoxypurine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-propargyloxy-xanthine Formula: C17H16N4O3 MolecularWeight: 324.33394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC#C)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC#C)CC3=CC=CC=C3

InChI

InChI=1S/C17H16N4O3/c1-4-10-24-16-18-14-13(15(22)20(3)17(23)19(14)2)21(16)11-12-8-6-5-7-9-12/h1,5-9H,10-11H2,2-3H3