ethyl 2-[7-but-2-ynyl-2,6-bis(oxidanylidene)-1-phenethyl-8-piperazin-1-yl-purin-3-yl]ethanoate

Systemtic Name: ethyl 2-[7-but-2-ynyl-2,6-bis(oxidanylidene)-1-phenethyl-8-piperazin-1-yl-purin-3-yl]ethanoate Openeye Name: ethyl 2-(7-but-2-ynyl-2,6-dioxo-1-phenethyl-8-piperazin-1-yl-purin-3-yl)acetate CAS Name: 2-[7-but-2-ynyl-2,6-dioxo-1-phenethyl-8-(1-piperazinyl)-3-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(7-but-2-ynyl-2,6-dioxo-1-phenethyl-8-piperazin-1-ylpurin-3-yl)acetate Traditional Name: 2-(7-but-2-ynyl-2,6-diketo-1-phenethyl-8-piperazino-purin-3-yl)acetic acid ethyl ester Formula: C25H30N6O4 MolecularWeight: 478.5435

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N(C(=N2)N4CCNCC4)CC#CC

Isomeric SMILES

CCOC(=O)CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N(C(=N2)N4CCNCC4)CC#CC

InChI

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