6-[2-[[2-azanyl-6-(4-fluorophenyl)sulfanyl-pyrimidin-4-yl]amino]ethyl]-1H-pyrimidin-4-one

Systemtic Name: 6-[2-[[2-azanyl-6-(4-fluorophenyl)sulfanyl-pyrimidin-4-yl]amino]ethyl]-1H-pyrimidin-4-one Openeye Name: 6-[2-[[2-amino-6-(4-fluorophenyl)sulfanyl-pyrimidin-4-yl]amino]ethyl]-1H-pyrimidin-4-one CAS Name: 6-[2-[[2-amino-6-[(4-fluorophenyl)thio]-4-pyrimidinyl]amino]ethyl]-1H-pyrimidin-4-one IUPAC Name: 6-[2-[[2-amino-6-(4-fluorophenyl)sulfanylpyrimidin-4-yl]amino]ethyl]-1H-pyrimidin-4-one Traditional Name: 6-[2-[[2-amino-6-[(4-fluorophenyl)thio]pyrimidin-4-yl]amino]ethyl]-1H-pyrimidin-4-one Formula: C16H15FN6OS MolecularWeight: 358.393303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1F)SC2=NC(=NC(=C2)NCCC3=CC(=O)N=CN3)N

Isomeric SMILES

C1=CC(=CC=C1F)SC2=NC(=NC(=C2)NCCC3=CC(=O)N=CN3)N

InChI

InChI=1S/C16H15FN6OS/c17-10-1-3-12(4-2-10)25-15-8-13(22-16(18)23-15)19-6-5-11-7-14(24)21-9-20-11/h1-4,7-9H,5-6H2,(H,20,21,24)(H3,18,19,22,23)