3-[(1-methyl-6-oxidanylidene-4-piperazin-1-yl-pyrimidin-2-yl)methoxy]benzenecarbonitrile

Systemtic Name: 3-[(1-methyl-6-oxidanylidene-4-piperazin-1-yl-pyrimidin-2-yl)methoxy]benzenecarbonitrile Openeye Name: 3-[(1-methyl-6-oxo-4-piperazin-1-yl-pyrimidin-2-yl)methoxy]benzonitrile CAS Name: 3-[[1-methyl-6-oxo-4-(1-piperazinyl)-2-pyrimidinyl]methoxy]benzonitrile IUPAC Name: 3-[(1-methyl-6-oxo-4-piperazin-1-ylpyrimidin-2-yl)methoxy]benzonitrile Traditional Name: 3-[(6-keto-1-methyl-4-piperazino-pyrimidin-2-yl)methoxy]benzonitrile Formula: C17H19N5O2 MolecularWeight: 325.36506

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N=C1COC2=CC=CC(=C2)C#N)N3CCNCC3

Isomeric SMILES

CN1C(=O)C=C(N=C1COC2=CC=CC(=C2)C#N)N3CCNCC3

InChI

InChI=1S/C17H19N5O2/c1-21-16(12-24-14-4-2-3-13(9-14)11-18)20-15(10-17(21)23)22-7-5-19-6-8-22/h2-4,9-10,19H,5-8,12H2,1H3