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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N(C2=O)C)NCCC(=O)O)N=C1N3CCNCC3

Isomeric SMILES

CC#CCN1C2=C(N=C(N(C2=O)C)NCCC(=O)O)N=C1N3CCNCC3

InChI

InChI=1S/C17H23N7O3/c1-3-4-9-24-13-14(21-17(24)23-10-7-18-8-11-23)20-16(22(2)15(13)27)19-6-5-12(25)26/h18H,5-11H2,1-2H3,(H,19,20)(H,25,26)