7-but-2-ynyl-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purine-3-carboxamide

Systemtic Name: 7-but-2-ynyl-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purine-3-carboxamide Openeye Name: 7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-yl-purine-3-carboxamide CAS Name: 7-but-2-ynyl-1-methyl-2,6-dioxo-8-(1-piperazinyl)-3-purinecarboxamide IUPAC Name: 7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-ylpurine-3-carboxamide Traditional Name: 7-but-2-ynyl-2,6-diketo-1-methyl-8-piperazino-purine-3-carboxamide Formula: C15H19N7O3 MolecularWeight: 345.35646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N7O3/c1-3-4-7-21-10-11(18-14(21)20-8-5-17-6-9-20)22(13(16)24)15(25)19(2)12(10)23/h17H,5-9H2,1-2H3,(H2,16,24)