2-(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)oxy-N,N-dimethyl-benzamide

Systemtic Name: 2-(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)oxy-N,N-dimethyl-benzamide Openeye Name: 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-yl-purin-2-yl)oxy-N,N-dimethyl-benzamide CAS Name: 2-[[7-but-2-ynyl-1-methyl-6-oxo-8-(1-piperazinyl)-2-purinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl)oxy-N,N-dimethylbenzamide Traditional Name: 2-(7-but-2-ynyl-6-keto-1-methyl-8-piperazino-purin-2-yl)oxy-N,N-dimethyl-benzamide Formula: C23H27N7O3 MolecularWeight: 449.50558

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=CC=CC=C4C(=O)N(C)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=CC=CC=C4C(=O)N(C)C

InChI

InChI=1S/C23H27N7O3/c1-5-6-13-30-18-19(25-22(30)29-14-11-24-12-15-29)26-23(28(4)21(18)32)33-17-10-8-7-9-16(17)20(31)27(2)3/h7-10,24H,11-15H2,1-4H3