2-[(2-azanyl-4-methylsulfanyl-butyl)amino]-5-(4-fluorophenyl)-6-pyridin-4-yl-1H-pyrimidin-4-one

Systemtic Name: 2-[(2-azanyl-4-methylsulfanyl-butyl)amino]-5-(4-fluorophenyl)-6-pyridin-4-yl-1H-pyrimidin-4-one Openeye Name: 2-[(2-amino-4-methylsulfanyl-butyl)amino]-5-(4-fluorophenyl)-6-(4-pyridyl)-1H-pyrimidin-4-one CAS Name: 2-[[2-amino-4-(methylthio)butyl]amino]-5-(4-fluorophenyl)-6-pyridin-4-yl-1H-pyrimidin-4-one IUPAC Name: 2-[(2-amino-4-methylsulfanylbutyl)amino]-5-(4-fluorophenyl)-6-pyridin-4-yl-1H-pyrimidin-4-one Traditional Name: 2-[[2-amino-4-(methylthio)butyl]amino]-5-(4-fluorophenyl)-6-(4-pyridyl)-1H-pyrimidin-4-one Formula: C20H22FN5OS MolecularWeight: 399.484983

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(CNC1=NC(=O)C(=C(N1)C2=CC=NC=C2)C3=CC=C(C=C3)F)N

Isomeric SMILES

CSCCC(CNC1=NC(=O)C(=C(N1)C2=CC=NC=C2)C3=CC=C(C=C3)F)N

InChI

InChI=1S/C20H22FN5OS/c1-28-11-8-16(22)12-24-20-25-18(14-6-9-23-10-7-14)17(19(27)26-20)13-2-4-15(21)5-3-13/h2-7,9-10,16H,8,11-12,22H2,1H3,(H2,24,25,26,27)