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4-[7-but-2-ynyl-3-(carboxymethyl)-2,6-bis(oxidanylidene)-1-phenethyl-purin-8-yl]piperazine-1-carboxylic acid

4-[7-but-2-ynyl-3-(carboxymethyl)-2,6-bis(oxidanylidene)-1-phenethyl-purin-8-yl]piperazine-1-carboxylic acid

Systemtic Name:4-[7-but-2-ynyl-3-(carboxymethyl)-2,6-bis(oxidanylidene)-1-phenethyl-purin-8-yl]piperazine-1-carboxylic acid
Openeye Name:4-[7-but-2-ynyl-3-(carboxymethyl)-2,6-dioxo-1-phenethyl-purin-8-yl]piperazine-1-carboxylic acid
CAS Name:4-[7-but-2-ynyl-3-(carboxymethyl)-2,6-dioxo-1-phenethyl-8-purinyl]-1-piperazinecarboxylic acid
IUPAC Name:4-[7-but-2-ynyl-3-(carboxymethyl)-2,6-dioxo-1-phenethylpurin-8-yl]piperazine-1-carboxylic acid
Traditional Name:4-[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#CCN1C2=C(N=C1N3CCN(CC3)C(=O)O)N(C(=O)N(C2=O)CCC4=CC=CC=C4)CC(=O)O


Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCN(CC3)C(=O)O)N(C(=O)N(C2=O)CCC4=CC=CC=C4)CC(=O)O


InChI

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


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