[6-oxidanylidene-7-(phenylmethyl)-8-piperazin-1-yl-purin-1-yl] butanoate

Systemtic Name: [6-oxidanylidene-7-(phenylmethyl)-8-piperazin-1-yl-purin-1-yl] butanoate Openeye Name: (7-benzyl-6-oxo-8-piperazin-1-yl-purin-1-yl) butanoate CAS Name: butanoic acid [6-oxo-7-(phenylmethyl)-8-(1-piperazinyl)-1-purinyl] ester IUPAC Name: (7-benzyl-6-oxo-8-piperazin-1-ylpurin-1-yl) butanoate Traditional Name: butyric acid (7-benzyl-6-keto-8-piperazino-purin-1-yl) ester Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)ON1C=NC2=C(C1=O)N(C(=N2)N3CCNCC3)CC4=CC=CC=C4

Isomeric SMILES

CCCC(=O)ON1C=NC2=C(C1=O)N(C(=N2)N3CCNCC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H24N6O3/c1-2-6-16(27)29-26-14-22-18-17(19(26)28)25(13-15-7-4-3-5-8-15)20(23-18)24-11-9-21-10-12-24/h3-5,7-8,14,21H,2,6,9-13H2,1H3