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

Systemtic Name: 4,7,8-trimethyl-2-[(E)-3-phenylprop-2-enyl]-6-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-allyl-2-[(E)-cinnamyl]-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7,8-trimethyl-2-[(E)-3-phenylprop-2-enyl]-6-prop-2-enylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7,8-trimethyl-2-[(E)-3-phenylprop-2-enyl]-6-prop-2-enylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-allyl-2-[(E)-cinnamyl]-4,7,8-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1CC=C)N(C(=O)N(C3=O)CC=CC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1CC=C)N(C(=O)N(C3=O)C/C=C/C4=CC=CC=C4)C)C

InChI

InChI=1S/C22H23N5O2/c1-5-13-25-15(2)16(3)27-18-19(23-21(25)27)24(4)22(29)26(20(18)28)14-9-12-17-10-7-6-8-11-17/h5-12H,1,13-14H2,2-4H3/b12-9+