7-methyl-8-[(E)-3-phenylprop-2-enyl]-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 7-methyl-8-[(E)-3-phenylprop-2-enyl]-1,3-dipropyl-purine-2,6-dione Openeye Name: 8-[(E)-cinnamyl]-7-methyl-1,3-dipropyl-purine-2,6-dione CAS Name: 7-methyl-8-[(E)-3-phenylprop-2-enyl]-1,3-dipropylpurine-2,6-dione IUPAC Name: 7-methyl-8-[(E)-3-phenylprop-2-enyl]-1,3-dipropylpurine-2,6-dione Traditional Name: 8-[(E)-cinnamyl]-7-methyl-1,3-dipropyl-xanthine Formula: C21H26N4O2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)CC=CC3=CC=CC=C3)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C/C=C/C3=CC=CC=C3)C

InChI

InChI=1S/C21H26N4O2/c1-4-14-24-19-18(20(26)25(15-5-2)21(24)27)23(3)17(22-19)13-9-12-16-10-7-6-8-11-16/h6-12H,4-5,13-15H2,1-3H3/b12-9+