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

Systemtic Name: 8-(furan-2-ylmethylamino)-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione Openeye Name: 7-[(E)-cinnamyl]-8-(2-furylmethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(2-furanylmethylamino)-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione IUPAC Name: 8-(furan-2-ylmethylamino)-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione Traditional Name: 7-[(E)-cinnamyl]-8-(2-furfurylamino)-1,3-dimethyl-xanthine Formula: C21H21N5O3 MolecularWeight: 391.42314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CO3)CC=CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CO3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O3/c1-24-18-17(19(27)25(2)21(24)28)26(12-6-10-15-8-4-3-5-9-15)20(23-18)22-14-16-11-7-13-29-16/h3-11,13H,12,14H2,1-2H3,(H,22,23)/b10-6+