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2-[7-but-2-ynyl-9-(2-cyanoethyl)-8-oxidanylidene-purin-6-yl]piperazine-1-carboxylic acid

2-[7-but-2-ynyl-9-(2-cyanoethyl)-8-oxidanylidene-purin-6-yl]piperazine-1-carboxylic acid

Systemtic Name:2-[7-but-2-ynyl-9-(2-cyanoethyl)-8-oxidanylidene-purin-6-yl]piperazine-1-carboxylic acid
Openeye Name:2-[7-but-2-ynyl-9-(2-cyanoethyl)-8-oxo-purin-6-yl]piperazine-1-carboxylic acid
CAS Name:2-[7-but-2-ynyl-9-(2-cyanoethyl)-8-oxo-6-purinyl]-1-piperazinecarboxylic acid
IUPAC Name:2-[7-but-2-ynyl-9-(2-cyanoethyl)-8-oxopurin-6-yl]piperazine-1-carboxylic acid
Traditional Name:2-[7-but-2-ynyl-9-(2-cyanoethyl)-8-keto-purin-6-yl]piperazine-1-carboxylic acid
Formula: C17H19N7O3
MolecularWeight: 369.37786
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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=CN=C2N(C1=O)CCC#N)C3CNCCN3C(=O)O


Isomeric SMILES

CC#CCN1C2=C(N=CN=C2N(C1=O)CCC#N)C3CNCCN3C(=O)O


InChI

InChI=1S/C17H19N7O3/c1-2-3-7-23-14-13(12-10-19-6-9-22(12)17(26)27)20-11-21-15(14)24(16(23)25)8-4-5-18/h11-12,19H,4,6-10H2,1H3,(H,26,27)


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