2-(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)oxy-3-methoxy-benzenecarbonitrile

Systemtic Name: 2-(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)oxy-3-methoxy-benzenecarbonitrile Openeye Name: 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-yl-purin-2-yl)oxy-3-methoxy-benzonitrile CAS Name: 2-[[7-but-2-ynyl-1-methyl-6-oxo-8-(1-piperazinyl)-2-purinyl]oxy]-3-methoxybenzonitrile IUPAC Name: 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl)oxy-3-methoxybenzonitrile Traditional Name: 2-(7-but-2-ynyl-6-keto-1-methyl-8-piperazino-purin-2-yl)oxy-3-methoxy-benzonitrile Formula: C22H23N7O3 MolecularWeight: 433.46312

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=C(C=CC=C4OC)C#N

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=C(C=CC=C4OC)C#N

InChI

InChI=1S/C22H23N7O3/c1-4-5-11-29-17-19(25-21(29)28-12-9-24-10-13-28)26-22(27(2)20(17)30)32-18-15(14-23)7-6-8-16(18)31-3/h6-8,24H,9-13H2,1-3H3