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

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

Systemtic Name:2-[7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylic acid
Openeye Name:2-(7-but-2-ynyl-3-methyl-2,6-dioxo-purin-8-yl)piperazine-1-carboxylic acid
CAS Name:2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-purinyl)-1-piperazinecarboxylic acid
IUPAC Name:2-(7-but-2-ynyl-3-methyl-2,6-dioxopurin-8-yl)piperazine-1-carboxylic acid
Traditional Name:2-(7-but-2-ynyl-2,6-diketo-3-methyl-purin-8-yl)piperazine-1-carboxylic acid
Formula: C15H18N6O4
MolecularWeight: 346.34122
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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C(=NC2=C1C(=O)NC(=O)N2C)C3CNCCN3C(=O)O


Isomeric SMILES

CC#CCN1C(=NC2=C1C(=O)NC(=O)N2C)C3CNCCN3C(=O)O


InChI

InChI=1S/C15H18N6O4/c1-3-4-6-21-10-12(19(2)14(23)18-13(10)22)17-11(21)9-8-16-5-7-20(9)15(24)25/h9,16H,5-8H2,1-2H3,(H,24,25)(H,18,22,23)


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