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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(N2C1=NC3=C2C(=O)N(C(=O)N3C)CC=CC4=CC=CC=C4)C)C

Isomeric SMILES

CCCN1C(=C(N2C1=NC3=C2C(=O)N(C(=O)N3C)C/C=C/C4=CC=CC=C4)C)C

InChI

InChI=1S/C22H25N5O2/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/h6-12H,5,13-14H2,1-4H3/b12-9+