1,3,7-trimethyl-8-[4-(3-phenylpropanoyl)piperazin-1-yl]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[4-(3-phenylpropanoyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[4-(3-phenylpropanoyl)piperazin-1-yl]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[4-(1-oxo-3-phenylpropyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[4-(3-phenylpropanoyl)piperazin-1-yl]purine-2,6-dione Traditional Name: 8-(4-hydrocinnamoylpiperazino)-1,3,7-trimethyl-xanthine Formula: C21H26N6O3 MolecularWeight: 410.46954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N3CCN(CC3)C(=O)CCC4=CC=CC=C4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1N3CCN(CC3)C(=O)CCC4=CC=CC=C4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H26N6O3/c1-23-17-18(24(2)21(30)25(3)19(17)29)22-20(23)27-13-11-26(12-14-27)16(28)10-9-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3