7-butan-2-yl-3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1-phenethyl-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-butan-2-yl-3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1-phenethyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 3-(2-oxo-2-pyrrolidin-1-yl-ethyl)-1-phenethyl-8-piperazin-1-yl-7-sec-butyl-purine-2,6-dione CAS Name: 7-butan-2-yl-3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-phenethyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-butan-2-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenethyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 3-(2-keto-2-pyrrolidino-ethyl)-1-phenethyl-8-piperazino-7-sec-butyl-xanthine Formula: C27H37N7O3 MolecularWeight: 507.62778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCC4=CC=CC=C4)CC(=O)N5CCCC5

Isomeric SMILES

CCC(C)N1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCC4=CC=CC=C4)CC(=O)N5CCCC5

InChI

InChI=1S/C27H37N7O3/c1-3-20(2)34-23-24(29-26(34)31-17-12-28-13-18-31)33(19-22(35)30-14-7-8-15-30)27(37)32(25(23)36)16-11-21-9-5-4-6-10-21/h4-6,9-10,20,28H,3,7-8,11-19H2,1-2H3