8-cyclohexyl-3,7-dimethyl-1-prop-2-ynyl-purine-2,6-dione

Systemtic Name: 8-cyclohexyl-3,7-dimethyl-1-prop-2-ynyl-purine-2,6-dione Openeye Name: 8-cyclohexyl-3,7-dimethyl-1-prop-2-ynyl-purine-2,6-dione CAS Name: 8-cyclohexyl-3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione IUPAC Name: 8-cyclohexyl-3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione Traditional Name: 8-cyclohexyl-3,7-dimethyl-1-propargyl-xanthine Formula: C16H20N4O2 MolecularWeight: 300.3556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)CC#C)C3CCCCC3

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)CC#C)C3CCCCC3

InChI

InChI=1S/C16H20N4O2/c1-4-10-20-15(21)12-14(19(3)16(20)22)17-13(18(12)2)11-8-6-5-7-9-11/h1,11H,5-10H2,2-3H3