6-(5-chloranyl-2-prop-2-enoxy-phenyl)-4,7,8-trimethyl-2-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(5-chloranyl-2-prop-2-enoxy-phenyl)-4,7,8-trimethyl-2-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-allyl-6-(2-allyloxy-5-chloro-phenyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(5-chloro-2-prop-2-enoxyphenyl)-4,7,8-trimethyl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(5-chloro-2-prop-2-enoxyphenyl)-4,7,8-trimethyl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-allyl-6-(2-allyloxy-5-chloro-phenyl)-4,7,8-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H22ClN5O3 MolecularWeight: 439.89478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1C4=C(C=CC(=C4)Cl)OCC=C)N(C(=O)N(C3=O)CC=C)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1C4=C(C=CC(=C4)Cl)OCC=C)N(C(=O)N(C3=O)CC=C)C)C

InChI

InChI=1S/C22H22ClN5O3/c1-6-10-26-20(29)18-19(25(5)22(26)30)24-21-27(13(3)14(4)28(18)21)16-12-15(23)8-9-17(16)31-11-7-2/h6-9,12H,1-2,10-11H2,3-5H3