6-ethyl-4,7,8-trimethyl-2-[(E)-3-phenylprop-2-enyl]purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-ethyl-4,7,8-trimethyl-2-[(E)-3-phenylprop-2-enyl]purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-[(E)-cinnamyl]-6-ethyl-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-ethyl-4,7,8-trimethyl-2-[(E)-3-phenylprop-2-enyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-ethyl-4,7,8-trimethyl-2-[(E)-3-phenylprop-2-enyl]purino[7,8-a]imidazole-1,3-dione Traditional Name: 2-[(E)-cinnamyl]-6-ethyl-4,7,8-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N2C1=NC3=C2C(=O)N(C(=O)N3C)CC=CC4=CC=CC=C4)C)C

Isomeric SMILES

CCN1C(=C(N2C1=NC3=C2C(=O)N(C(=O)N3C)C/C=C/C4=CC=CC=C4)C)C

InChI

InChI=1S/C21H23N5O2/c1-5-24-14(2)15(3)26-17-18(22-20(24)26)23(4)21(28)25(19(17)27)13-9-12-16-10-7-6-8-11-16/h6-12H,5,13H2,1-4H3/b12-9+