3-methoxy-4-[4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-4-oxidanylidene-butoxy]benzenecarbonitrile

Systemtic Name: 3-methoxy-4-[4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-4-oxidanylidene-butoxy]benzenecarbonitrile Openeye Name: 3-methoxy-4-[4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-4-oxo-butoxy]benzonitrile CAS Name: 3-methoxy-4-[4-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-4-oxobutoxy]benzonitrile IUPAC Name: 3-methoxy-4-[4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-4-oxobutoxy]benzonitrile Traditional Name: 4-[4-keto-4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]butoxy]-3-methoxy-benzonitrile Formula: C22H25N7O3 MolecularWeight: 435.479

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CCCOC4=C(C=C(C=C4)C#N)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CCCOC4=C(C=C(C=C4)C#N)OC

InChI

InChI=1S/C22H25N7O3/c1-27-21-17(14-26-27)22(25-15-24-21)29-9-7-28(8-10-29)20(30)4-3-11-32-18-6-5-16(13-23)12-19(18)31-2/h5-6,12,14-15H,3-4,7-11H2,1-2H3