7-but-2-ynyl-2,6-bis(oxidanylidene)-1-phenethyl-8-piperazin-1-yl-N-propyl-purine-3-carboxamide

Systemtic Name: 7-but-2-ynyl-2,6-bis(oxidanylidene)-1-phenethyl-8-piperazin-1-yl-N-propyl-purine-3-carboxamide Openeye Name: 7-but-2-ynyl-2,6-dioxo-1-phenethyl-8-piperazin-1-yl-N-propyl-purine-3-carboxamide CAS Name: 7-but-2-ynyl-2,6-dioxo-1-phenethyl-8-(1-piperazinyl)-N-propyl-3-purinecarboxamide IUPAC Name: 7-but-2-ynyl-2,6-dioxo-1-phenethyl-8-piperazin-1-yl-N-propylpurine-3-carboxamide Traditional Name: 7-but-2-ynyl-2,6-diketo-1-phenethyl-8-piperazino-N-propyl-purine-3-carboxamide Formula: C25H31N7O3 MolecularWeight: 477.55874

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N(C(=N2)N4CCNCC4)CC#CC

Isomeric SMILES

CCCNC(=O)N1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N(C(=N2)N4CCNCC4)CC#CC

InChI

InChI=1S/C25H31N7O3/c1-3-5-15-30-20-21(28-23(30)29-17-13-26-14-18-29)32(24(34)27-12-4-2)25(35)31(22(20)33)16-11-19-9-7-6-8-10-19/h6-10,26H,4,11-18H2,1-2H3,(H,27,34)