1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 7-[(E)-cinnamyl]-1,3-dimethyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 7-[(E)-cinnamyl]-1,3-dimethyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C22H24N6O2 MolecularWeight: 404.46496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C)C2=NC3=C(N2CC=CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1=C(N(N=C1C)C2=NC3=C(N2C/C=C/C4=CC=CC=C4)C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C22H24N6O2/c1-14-15(2)24-28(16(14)3)21-23-19-18(20(29)26(5)22(30)25(19)4)27(21)13-9-12-17-10-7-6-8-11-17/h6-12H,13H2,1-5H3/b12-9+