8-[2-(3-chlorophenyl)ethynyl]-3-ethyl-7-methyl-1-prop-2-ynyl-purine-2,6-dione

Systemtic Name: 8-[2-(3-chlorophenyl)ethynyl]-3-ethyl-7-methyl-1-prop-2-ynyl-purine-2,6-dione Openeye Name: 8-[2-(3-chlorophenyl)ethynyl]-3-ethyl-7-methyl-1-prop-2-ynyl-purine-2,6-dione CAS Name: 8-[2-(3-chlorophenyl)ethynyl]-3-ethyl-7-methyl-1-prop-2-ynylpurine-2,6-dione IUPAC Name: 8-[2-(3-chlorophenyl)ethynyl]-3-ethyl-7-methyl-1-prop-2-ynylpurine-2,6-dione Traditional Name: 8-[2-(3-chlorophenyl)ethynyl]-3-ethyl-7-methyl-1-propargyl-xanthine Formula: C19H15ClN4O2 MolecularWeight: 366.801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC#C)N(C(=N2)C#CC3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC#C)N(C(=N2)C#CC3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C19H15ClN4O2/c1-4-11-24-18(25)16-17(23(5-2)19(24)26)21-15(22(16)3)10-9-13-7-6-8-14(20)12-13/h1,6-8,12H,5,11H2,2-3H3