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2-[7-but-2-ynyl-3-(carboxymethyl)-2,6-bis(oxidanylidene)-1-phenethyl-purin-8-yl]piperazine-1-carboxylic acid

2-[7-but-2-ynyl-3-(carboxymethyl)-2,6-bis(oxidanylidene)-1-phenethyl-purin-8-yl]piperazine-1-carboxylic acid

Systemtic Name:2-[7-but-2-ynyl-3-(carboxymethyl)-2,6-bis(oxidanylidene)-1-phenethyl-purin-8-yl]piperazine-1-carboxylic acid
Openeye Name:2-[7-but-2-ynyl-3-(carboxymethyl)-2,6-dioxo-1-phenethyl-purin-8-yl]piperazine-1-carboxylic acid
CAS Name:2-[7-but-2-ynyl-3-(carboxymethyl)-2,6-dioxo-1-phenethyl-8-purinyl]-1-piperazinecarboxylic acid
IUPAC Name:2-[7-but-2-ynyl-3-(carboxymethyl)-2,6-dioxo-1-phenethylpurin-8-yl]piperazine-1-carboxylic acid
Traditional Name:2-[7-but-2-ynyl-3-(carboxymethyl)-2,6-diketo-1-phenethyl-purin-8-yl]piperazine-1-carboxylic acid
Formula: C24H26N6O6
MolecularWeight: 494.49984
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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C(=NC2=C1C(=O)N(C(=O)N2CC(=O)O)CCC3=CC=CC=C3)C4CNCCN4C(=O)O


Isomeric SMILES

CC#CCN1C(=NC2=C1C(=O)N(C(=O)N2CC(=O)O)CCC3=CC=CC=C3)C4CNCCN4C(=O)O


InChI

InChI=1S/C24H26N6O6/c1-2-3-11-28-19-21(26-20(28)17-14-25-10-13-27(17)24(35)36)30(15-18(31)32)23(34)29(22(19)33)12-9-16-7-5-4-6-8-16/h4-8,17,25H,9-15H2,1H3,(H,31,32)(H,35,36)


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