1-methyl-9-phenethyl-3-[(E)-3-phenylprop-2-enyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 1-methyl-9-phenethyl-3-[(E)-3-phenylprop-2-enyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-[(E)-cinnamyl]-1-methyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 1-methyl-9-phenethyl-3-[(E)-3-phenylprop-2-enyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 1-methyl-9-phenethyl-3-[(E)-3-phenylprop-2-enyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-[(E)-cinnamyl]-1-methyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC=CC3=CC=CC=C3)N4CCCN(C4=N2)CCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C/C=C/C3=CC=CC=C3)N4CCCN(C4=N2)CCC5=CC=CC=C5

InChI

InChI=1S/C26H27N5O2/c1-28-23-22(24(32)31(26(28)33)17-8-14-20-10-4-2-5-11-20)30-18-9-16-29(25(30)27-23)19-15-21-12-6-3-7-13-21/h2-8,10-14H,9,15-19H2,1H3/b14-8+