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

Systemtic Name: 7-but-2-ynyl-3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1-phenethyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-but-2-ynyl-3-(2-oxo-2-pyrrolidin-1-yl-ethyl)-1-phenethyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-but-2-ynyl-3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-phenethyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-but-2-ynyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenethyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-but-2-ynyl-3-(2-keto-2-pyrrolidino-ethyl)-1-phenethyl-8-piperazino-xanthine Formula: C27H33N7O3 MolecularWeight: 503.59602

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCC4=CC=CC=C4)CC(=O)N5CCCC5

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCC4=CC=CC=C4)CC(=O)N5CCCC5

InChI

InChI=1S/C27H33N7O3/c1-2-3-16-32-23-24(29-26(32)31-18-12-28-13-19-31)34(20-22(35)30-14-7-8-15-30)27(37)33(25(23)36)17-11-21-9-5-4-6-10-21/h4-6,9-10,28H,7-8,11-20H2,1H3