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

Systemtic Name: 2-[(7-but-2-ynyl-6-oxidanylidene-8-piperazin-1-yl-3H-purin-2-yl)amino]propanoic acid Openeye Name: 2-[(7-but-2-ynyl-6-oxo-8-piperazin-1-yl-3H-purin-2-yl)amino]propanoic acid CAS Name: 2-[[7-but-2-ynyl-6-oxo-8-(1-piperazinyl)-3H-purin-2-yl]amino]propanoic acid IUPAC Name: 2-[(7-but-2-ynyl-6-oxo-8-piperazin-1-yl-3H-purin-2-yl)amino]propanoic acid Traditional Name: 2-[(7-but-2-ynyl-6-keto-8-piperazino-3H-purin-2-yl)amino]propionic acid Formula: C16H21N7O3 MolecularWeight: 359.38304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N7O3/c1-3-4-7-23-11-12(20-16(23)22-8-5-17-6-9-22)19-15(21-13(11)24)18-10(2)14(25)26/h10,17H,5-9H2,1-2H3,(H,25,26)(H2,18,19,21,24)