4-[4-[7-ethyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]piperazin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[7-ethyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]piperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(7-ethyl-3-methyl-2,6-dioxo-purin-8-yl)piperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-(7-ethyl-3-methyl-2,6-dioxo-8-purinyl)-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[4-(7-ethyl-2,6-diketo-3-methyl-purin-8-yl)piperazino]-4-keto-butyric acid Formula: C16H22N6O5 MolecularWeight: 378.38308

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3CCN(CC3)C(=O)CCC(=O)O)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1N3CCN(CC3)C(=O)CCC(=O)O)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H22N6O5/c1-3-22-12-13(19(2)16(27)18-14(12)26)17-15(22)21-8-6-20(7-9-21)10(23)4-5-11(24)25/h3-9H2,1-2H3,(H,24,25)(H,18,26,27)