3,7-dimethyl-8-phenyl-1-prop-2-enyl-purine-2,6-dione

Systemtic Name: 3,7-dimethyl-8-phenyl-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-3,7-dimethyl-8-phenyl-purine-2,6-dione CAS Name: 3,7-dimethyl-8-phenyl-1-prop-2-enylpurine-2,6-dione IUPAC Name: 3,7-dimethyl-8-phenyl-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-3,7-dimethyl-8-phenyl-xanthine Formula: C16H16N4O2 MolecularWeight: 296.32384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C3=CC=CC=C3)N(C(=O)N(C2=O)CC=C)C

Isomeric SMILES

CN1C2=C(N=C1C3=CC=CC=C3)N(C(=O)N(C2=O)CC=C)C

InChI

InChI=1S/C16H16N4O2/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/h4-9H,1,10H2,2-3H3