(7-but-2-ynyl-3-methyl-6-oxidanylidene-8-piperazin-1-yl-2H-purin-1-yl) 2-oxidanylidenepropanoate

Systemtic Name: (7-but-2-ynyl-3-methyl-6-oxidanylidene-8-piperazin-1-yl-2H-purin-1-yl) 2-oxidanylidenepropanoate Openeye Name: (7-but-2-ynyl-3-methyl-6-oxo-8-piperazin-1-yl-2H-purin-1-yl) 2-oxopropanoate CAS Name: 2-oxopropanoic acid [7-but-2-ynyl-3-methyl-6-oxo-8-(1-piperazinyl)-2H-purin-1-yl] ester IUPAC Name: (7-but-2-ynyl-3-methyl-6-oxo-8-piperazin-1-yl-2H-purin-1-yl) 2-oxopropanoate Traditional Name: 2-ketopropionic acid (7-but-2-ynyl-6-keto-3-methyl-8-piperazino-2H-purin-1-yl) ester Formula: C17H22N6O4 MolecularWeight: 374.39438

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N(CN(C2=O)OC(=O)C(=O)C)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(CN(C2=O)OC(=O)C(=O)C)C

InChI

InChI=1S/C17H22N6O4/c1-4-5-8-22-13-14(19-17(22)21-9-6-18-7-10-21)20(3)11-23(15(13)25)27-16(26)12(2)24/h18H,6-11H2,1-3H3