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

Systemtic Name: 3-[(1-ethyl-6-oxidanylidene-4-piperazin-1-yl-pyrimidin-2-yl)methoxy]benzenecarbonitrile Openeye Name: 3-[(1-ethyl-6-oxo-4-piperazin-1-yl-pyrimidin-2-yl)methoxy]benzonitrile CAS Name: 3-[[1-ethyl-6-oxo-4-(1-piperazinyl)-2-pyrimidinyl]methoxy]benzonitrile IUPAC Name: 3-[(1-ethyl-6-oxo-4-piperazin-1-ylpyrimidin-2-yl)methoxy]benzonitrile Traditional Name: 3-[(1-ethyl-6-keto-4-piperazino-pyrimidin-2-yl)methoxy]benzonitrile Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C=C(N=C1COC2=CC=CC(=C2)C#N)N3CCNCC3

Isomeric SMILES

CCN1C(=O)C=C(N=C1COC2=CC=CC(=C2)C#N)N3CCNCC3

InChI

InChI=1S/C18H21N5O2/c1-2-23-17(13-25-15-5-3-4-14(10-15)12-19)21-16(11-18(23)24)22-8-6-20-7-9-22/h3-5,10-11,20H,2,6-9,13H2,1H3