2-(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)oxy-5-ethanoyl-benzamide

Systemtic Name: 2-(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)oxy-5-ethanoyl-benzamide Openeye Name: 5-acetyl-2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-yl-purin-2-yl)oxy-benzamide CAS Name: 5-acetyl-2-[[7-but-2-ynyl-1-methyl-6-oxo-8-(1-piperazinyl)-2-purinyl]oxy]benzamide IUPAC Name: 5-acetyl-2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl)oxybenzamide Traditional Name: 5-acetyl-2-(7-but-2-ynyl-6-keto-1-methyl-8-piperazino-purin-2-yl)oxy-benzamide Formula: C23H25N7O4 MolecularWeight: 463.4891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=C(C=C(C=C4)C(=O)C)C(=O)N

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=C(C=C(C=C4)C(=O)C)C(=O)N

InChI

InChI=1S/C23H25N7O4/c1-4-5-10-30-18-20(26-22(30)29-11-8-25-9-12-29)27-23(28(3)21(18)33)34-17-7-6-15(14(2)31)13-16(17)19(24)32/h6-7,13,25H,8-12H2,1-3H3,(H2,24,32)