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2-[(7-but-2-ynyl-6-oxidanylidene-8-piperazin-1-yl-3H-purin-2-yl)oxy]propanoic acid

2-[(7-but-2-ynyl-6-oxidanylidene-8-piperazin-1-yl-3H-purin-2-yl)oxy]propanoic acid

Systemtic Name:2-[(7-but-2-ynyl-6-oxidanylidene-8-piperazin-1-yl-3H-purin-2-yl)oxy]propanoic acid
Openeye Name:2-[(7-but-2-ynyl-6-oxo-8-piperazin-1-yl-3H-purin-2-yl)oxy]propanoic acid
CAS Name:2-[[7-but-2-ynyl-6-oxo-8-(1-piperazinyl)-3H-purin-2-yl]oxy]propanoic acid
IUPAC Name:2-[(7-but-2-ynyl-6-oxo-8-piperazin-1-yl-3H-purin-2-yl)oxy]propanoic acid
Traditional Name:2-[(7-but-2-ynyl-6-keto-8-piperazino-3H-purin-2-yl)oxy]propionic acid
Formula: C16H20N6O4
MolecularWeight: 360.3678
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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(NC(=NC2=O)OC(C)C(=O)O)N=C1N3CCNCC3


Isomeric SMILES

CC#CCN1C2=C(NC(=NC2=O)OC(C)C(=O)O)N=C1N3CCNCC3


InChI

InChI=1S/C16H20N6O4/c1-3-4-7-22-11-12(19-16(22)21-8-5-17-6-9-21)18-15(20-13(11)23)26-10(2)14(24)25/h10,17H,5-9H2,1-2H3,(H,24,25)(H,18,20,23)


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