7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purine-2-carboxamide

Systemtic Name: 7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purine-2-carboxamide Openeye Name: 7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-yl-purine-2-carboxamide CAS Name: 7-but-2-ynyl-1-methyl-6-oxo-8-(1-piperazinyl)-2-purinecarboxamide IUPAC Name: 7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurine-2-carboxamide Traditional Name: 7-but-2-ynyl-6-keto-1-methyl-8-piperazino-purine-2-carboxamide Formula: C15H19N7O2 MolecularWeight: 329.35706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N7O2/c1-3-4-7-22-10-12(18-13(11(16)23)20(2)14(10)24)19-15(22)21-8-5-17-6-9-21/h17H,5-9H2,1-2H3,(H2,16,23)