2-[7-(3-methylbut-2-enyl)-2,6-bis(oxidanylidene)-1-phenacyl-8-piperazin-1-yl-purin-3-yl]ethanoic acid

Systemtic Name: 2-[7-(3-methylbut-2-enyl)-2,6-bis(oxidanylidene)-1-phenacyl-8-piperazin-1-yl-purin-3-yl]ethanoic acid Openeye Name: 2-[7-(3-methylbut-2-enyl)-2,6-dioxo-1-phenacyl-8-piperazin-1-yl-purin-3-yl]acetic acid CAS Name: 2-[7-(3-methylbut-2-enyl)-2,6-dioxo-1-phenacyl-8-(1-piperazinyl)-3-purinyl]acetic acid IUPAC Name: 2-[7-(3-methylbut-2-enyl)-2,6-dioxo-1-phenacyl-8-piperazin-1-ylpurin-3-yl]acetic acid Traditional Name: 2-[2,6-diketo-7-(3-methylbut-2-enyl)-1-phenacyl-8-piperazino-purin-3-yl]acetic acid Formula: C24H28N6O5 MolecularWeight: 480.51632

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4)CC(=O)O)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4)CC(=O)O)C

InChI

InChI=1S/C24H28N6O5/c1-16(2)8-11-28-20-21(26-23(28)27-12-9-25-10-13-27)29(15-19(32)33)24(35)30(22(20)34)14-18(31)17-6-4-3-5-7-17/h3-8,25H,9-15H2,1-2H3,(H,32,33)