N-[2-[7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethyl]ethanamide

Systemtic Name: N-[2-[7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethyl]ethanamide Openeye Name: N-[2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-yl-purin-1-yl)ethyl]acetamide CAS Name: N-[2-[7-but-2-ynyl-3-methyl-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]ethyl]acetamide IUPAC Name: N-[2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)ethyl]acetamide Traditional Name: N-[2-(7-but-2-ynyl-2,6-diketo-3-methyl-8-piperazino-purin-1-yl)ethyl]acetamide Formula: C18H25N7O3 MolecularWeight: 387.4362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N7O3/c1-4-5-9-24-14-15(21-17(24)23-10-6-19-7-11-23)22(3)18(28)25(16(14)27)12-8-20-13(2)26/h19H,6-12H2,1-3H3,(H,20,26)