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

Systemtic Name: 1,3-dimethyl-8-(3-oxidanylpropylamino)-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione Openeye Name: 7-[(E)-cinnamyl]-8-(3-hydroxypropylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(3-hydroxypropylamino)-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione IUPAC Name: 8-(3-hydroxypropylamino)-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione Traditional Name: 7-[(E)-cinnamyl]-8-(3-hydroxypropylamino)-1,3-dimethyl-xanthine Formula: C19H23N5O3 MolecularWeight: 369.41762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCO)CC=CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCO)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C19H23N5O3/c1-22-16-15(17(26)23(2)19(22)27)24(18(21-16)20-11-7-13-25)12-6-10-14-8-4-3-5-9-14/h3-6,8-10,25H,7,11-13H2,1-2H3,(H,20,21)/b10-6+