3-methyl-7-[(E)-3-phenylprop-2-enyl]-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione

Systemtic Name: 3-methyl-7-[(E)-3-phenylprop-2-enyl]-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione Openeye Name: 8-(4-allylpiperazin-1-yl)-7-[(E)-cinnamyl]-3-methyl-purine-2,6-dione CAS Name: 3-methyl-7-[(E)-3-phenylprop-2-enyl]-8-(4-prop-2-enyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[(E)-3-phenylprop-2-enyl]-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione Traditional Name: 8-(4-allylpiperazino)-7-[(E)-cinnamyl]-3-methyl-xanthine Formula: C22H26N6O2 MolecularWeight: 406.48084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC=C)CC=CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC=C)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C22H26N6O2/c1-3-11-26-13-15-27(16-14-26)21-23-19-18(20(29)24-22(30)25(19)2)28(21)12-7-10-17-8-5-4-6-9-17/h3-10H,1,11-16H2,2H3,(H,24,29,30)/b10-7+