4-azanyl-2-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 2-[2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-4-amino-pyrimidine-5-carbonitrile CAS Name: 2-[[2-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]thio]-4-amino-5-pyrimidinecarbonitrile IUPAC Name: 2-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-aminopyrimidine-5-carbonitrile Traditional Name: 2-[[2-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-keto-ethyl]thio]-4-amino-pyrimidine-5-carbonitrile Formula: C19H19FN6O2S MolecularWeight: 414.456563

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC=C(C(=N3)N)C#N)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC=C(C(=N3)N)C#N)F

InChI

InChI=1S/C19H19FN6O2S/c1-12(27)13-2-3-16(15(20)8-13)25-4-6-26(7-5-25)17(28)11-29-19-23-10-14(9-21)18(22)24-19/h2-3,8,10H,4-7,11H2,1H3,(H2,22,23,24)