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

Systemtic Name: 4,7,8-trimethyl-2-[(E)-3-phenylprop-2-enyl]-6-propan-2-yl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-[(E)-cinnamyl]-6-isopropyl-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-propan-2-ylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7,8-trimethyl-2-[(E)-3-phenylprop-2-enyl]-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-[(E)-cinnamyl]-6-isopropyl-4,7,8-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)CC=CC4=CC=CC=C4)C(C)C)C

Isomeric SMILES

CC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)C/C=C/C4=CC=CC=C4)C(C)C)C

InChI

InChI=1S/C22H25N5O2/c1-14(2)26-15(3)16(4)27-18-19(23-21(26)27)24(5)22(29)25(20(18)28)13-9-12-17-10-7-6-8-11-17/h6-12,14H,13H2,1-5H3/b12-9+