2-[7-butan-2-yl-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]-2-phenyl-propanoic acid

Systemtic Name: 2-[7-butan-2-yl-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]-2-phenyl-propanoic acid Openeye Name: 2-(1-methyl-2,6-dioxo-8-piperazin-1-yl-7-sec-butyl-purin-3-yl)-2-phenyl-propanoic acid CAS Name: 2-[7-butan-2-yl-1-methyl-2,6-dioxo-8-(1-piperazinyl)-3-purinyl]-2-phenylpropanoic acid IUPAC Name: 2-(7-butan-2-yl-1-methyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl)-2-phenylpropanoic acid Traditional Name: 2-(2,6-diketo-1-methyl-8-piperazino-7-sec-butyl-purin-3-yl)-2-phenyl-propionic acid Formula: C23H30N6O4 MolecularWeight: 454.5221

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)C(C)(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCC(C)N1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)C(C)(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H30N6O4/c1-5-15(2)28-17-18(25-21(28)27-13-11-24-12-14-27)29(22(33)26(4)19(17)30)23(3,20(31)32)16-9-7-6-8-10-16/h6-10,15,24H,5,11-14H2,1-4H3,(H,31,32)