ethanoyl fluoride; 9-methyl-7-(phenylmethyl)-6-piperazin-1-yl-purin-8-one

Systemtic Name: ethanoyl fluoride; 9-methyl-7-(phenylmethyl)-6-piperazin-1-yl-purin-8-one Openeye Name: acetyl fluoride; 7-benzyl-9-methyl-6-piperazin-1-yl-purin-8-one CAS Name: acetyl fluoride; 9-methyl-7-(phenylmethyl)-6-(1-piperazinyl)-8-purinone IUPAC Name: acetyl fluoride; 7-benzyl-9-methyl-6-piperazin-1-ylpurin-8-one Traditional Name: acetyl fluoride; 7-benzyl-9-methyl-6-piperazino-purin-8-one Formula: C23H29F3N6O4 MolecularWeight: 510.50937

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)F.CC(=O)F.CC(=O)F.CN1C2=C(C(=NC=N2)N3CCNCC3)N(C1=O)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)F.CC(=O)F.CC(=O)F.CN1C2=C(C(=NC=N2)N3CCNCC3)N(C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C17H20N6O.3C2H3FO/c1-21-15-14(16(20-12-19-15)22-9-7-18-8-10-22)23(17(21)24)11-13-5-3-2-4-6-13;3*1-2(3)4/h2-6,12,18H,7-11H2,1H3;3*1H3