7-but-2-ynyl-3-(2-ethoxyethyl)-1-phenacyl-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-but-2-ynyl-3-(2-ethoxyethyl)-1-phenacyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-but-2-ynyl-3-(2-ethoxyethyl)-1-phenacyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-but-2-ynyl-3-(2-ethoxyethyl)-1-phenacyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-but-2-ynyl-3-(2-ethoxyethyl)-1-phenacyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-but-2-ynyl-3-(2-ethoxyethyl)-1-phenacyl-8-piperazino-xanthine Formula: C25H30N6O4 MolecularWeight: 478.5435

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C(=O)N(C1=O)CC(=O)C3=CC=CC=C3)N(C(=N2)N4CCNCC4)CC#CC

Isomeric SMILES

CCOCCN1C2=C(C(=O)N(C1=O)CC(=O)C3=CC=CC=C3)N(C(=N2)N4CCNCC4)CC#CC

InChI

InChI=1S/C25H30N6O4/c1-3-5-13-29-21-22(27-24(29)28-14-11-26-12-15-28)30(16-17-35-4-2)25(34)31(23(21)33)18-20(32)19-9-7-6-8-10-19/h6-10,26H,4,11-18H2,1-2H3