N-[7-but-2-ynyl-8-(4-ethanoylpiperazin-1-yl)-1-methyl-6-oxidanylidene-purin-2-yl]ethanamide

Systemtic Name: N-[7-but-2-ynyl-8-(4-ethanoylpiperazin-1-yl)-1-methyl-6-oxidanylidene-purin-2-yl]ethanamide Openeye Name: N-[8-(4-acetylpiperazin-1-yl)-7-but-2-ynyl-1-methyl-6-oxo-purin-2-yl]acetamide CAS Name: N-[8-(4-acetyl-1-piperazinyl)-7-but-2-ynyl-1-methyl-6-oxo-2-purinyl]acetamide IUPAC Name: N-[8-(4-acetylpiperazin-1-yl)-7-but-2-ynyl-1-methyl-6-oxopurin-2-yl]acetamide Traditional Name: N-[8-(4-acetylpiperazino)-7-but-2-ynyl-6-keto-1-methyl-purin-2-yl]acetamide Formula: C18H23N7O3 MolecularWeight: 385.42032

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N(C2=O)C)NC(=O)C)N=C1N3CCN(CC3)C(=O)C

Isomeric SMILES

CC#CCN1C2=C(N=C(N(C2=O)C)NC(=O)C)N=C1N3CCN(CC3)C(=O)C

InChI

InChI=1S/C18H23N7O3/c1-5-6-7-25-14-15(20-17(19-12(2)26)22(4)16(14)28)21-18(25)24-10-8-23(9-11-24)13(3)27/h7-11H2,1-4H3,(H,19,20,26)