2-[6-methyl-4-oxidanylidene-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-5-yl]ethanenitrile

Systemtic Name: 2-[6-methyl-4-oxidanylidene-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-5-yl]ethanenitrile Openeye Name: 2-[6-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-5-yl]acetonitrile CAS Name: 2-[6-methyl-4-oxo-2-(4-phenyl-1-piperazinyl)-1H-pyrimidin-5-yl]acetonitrile IUPAC Name: 2-[6-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-5-yl]acetonitrile Traditional Name: 2-[4-keto-6-methyl-2-(4-phenylpiperazino)-1H-pyrimidin-5-yl]acetonitrile Formula: C17H19N5O MolecularWeight: 309.36566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CCN(CC2)C3=CC=CC=C3)CC#N

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CCN(CC2)C3=CC=CC=C3)CC#N

InChI

InChI=1S/C17H19N5O/c1-13-15(7-8-18)16(23)20-17(19-13)22-11-9-21(10-12-22)14-5-3-2-4-6-14/h2-6H,7,9-12H2,1H3,(H,19,20,23)