ethanoyl fluoride; 9-methyl-7-(3-methylbut-2-enyl)-6-piperazin-1-yl-purin-8-one

Systemtic Name: ethanoyl fluoride; 9-methyl-7-(3-methylbut-2-enyl)-6-piperazin-1-yl-purin-8-one Openeye Name: acetyl fluoride; 9-methyl-7-(3-methylbut-2-enyl)-6-piperazin-1-yl-purin-8-one CAS Name: acetyl fluoride; 9-methyl-7-(3-methylbut-2-enyl)-6-(1-piperazinyl)-8-purinone IUPAC Name: acetyl fluoride; 9-methyl-7-(3-methylbut-2-enyl)-6-piperazin-1-ylpurin-8-one Traditional Name: acetyl fluoride; 9-methyl-7-(3-methylbut-2-enyl)-6-piperazino-purin-8-one Formula: C21H31F3N6O4 MolecularWeight: 488.50385

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=CN=C2N3CCNCC3)N(C1=O)C)C.CC(=O)F.CC(=O)F.CC(=O)F

Isomeric SMILES

CC(=CCN1C2=C(N=CN=C2N3CCNCC3)N(C1=O)C)C.CC(=O)F.CC(=O)F.CC(=O)F

InChI

InChI=1S/C15H22N6O.3C2H3FO/c1-11(2)4-7-21-12-13(19(3)15(21)22)17-10-18-14(12)20-8-5-16-6-9-20;3*1-2(3)4/h4,10,16H,5-9H2,1-3H3;3*1H3