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

Systemtic Name: 2-[(7-but-2-ynyl-6-oxidanylidene-8-piperazin-1-yl-3H-purin-2-yl)sulfanyl]propanoic acid Openeye Name: 2-[(7-but-2-ynyl-6-oxo-8-piperazin-1-yl-3H-purin-2-yl)sulfanyl]propanoic acid CAS Name: 2-[[7-but-2-ynyl-6-oxo-8-(1-piperazinyl)-3H-purin-2-yl]thio]propanoic acid IUPAC Name: 2-[(7-but-2-ynyl-6-oxo-8-piperazin-1-yl-3H-purin-2-yl)sulfanyl]propanoic acid Traditional Name: 2-[(7-but-2-ynyl-6-keto-8-piperazino-3H-purin-2-yl)thio]propionic acid Formula: C16H20N6O3S MolecularWeight: 376.4334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N6O3S/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)