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

Systemtic Name: 2-(7-but-2-ynyl-6-oxidanylidene-8-piperazin-1-yl-3H-purin-2-yl)-2-(methylamino)propanoic acid Openeye Name: 2-(7-but-2-ynyl-6-oxo-8-piperazin-1-yl-3H-purin-2-yl)-2-(methylamino)propanoic acid CAS Name: 2-[7-but-2-ynyl-6-oxo-8-(1-piperazinyl)-3H-purin-2-yl]-2-(methylamino)propanoic acid IUPAC Name: 2-(7-but-2-ynyl-6-oxo-8-piperazin-1-yl-3H-purin-2-yl)-2-(methylamino)propanoic acid Traditional Name: 2-(7-but-2-ynyl-6-keto-8-piperazino-3H-purin-2-yl)-2-(methylamino)propionic acid Formula: C17H23N7O3 MolecularWeight: 373.40962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N7O3/c1-4-5-8-24-11-12(21-16(24)23-9-6-19-7-10-23)20-14(22-13(11)25)17(2,18-3)15(26)27/h18-19H,6-10H2,1-3H3,(H,26,27)(H,20,22,25)