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

Systemtic Name: 4-[4-[3-methyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-8-yl]piperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(3-methyl-2,6-dioxo-7-phenethyl-purin-8-yl)piperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-(3-methyl-2,6-dioxo-7-phenethyl-8-purinyl)-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)piperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[4-(2,6-diketo-3-methyl-7-phenethyl-purin-8-yl)piperazino]-4-keto-butyric acid Formula: C22H26N6O5 MolecularWeight: 454.47904

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C(=O)CCC(=O)O)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C(=O)CCC(=O)O)CCC4=CC=CC=C4

InChI

InChI=1S/C22H26N6O5/c1-25-19-18(20(32)24-22(25)33)28(10-9-15-5-3-2-4-6-15)21(23-19)27-13-11-26(12-14-27)16(29)7-8-17(30)31/h2-6H,7-14H2,1H3,(H,30,31)(H,24,32,33)