2-[4-(1-azanylethyl)-2-fluoranyl-phenyl]sulfanyl-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(1-azanylethyl)-2-fluoranyl-phenyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[4-(1-aminoethyl)-2-fluoro-phenyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[4-(1-aminoethyl)-2-fluorophenyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[4-(1-aminoethyl)-2-fluorophenyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[4-(1-aminoethyl)-2-fluoro-phenyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C15H18FN3OS MolecularWeight: 307.386323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC2=C(C=C(C=C2)C(C)N)F

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SC2=C(C=C(C=C2)C(C)N)F

InChI

InChI=1S/C15H18FN3OS/c1-3-4-11-8-14(20)19-15(18-11)21-13-6-5-10(9(2)17)7-12(13)16/h5-9H,3-4,17H2,1-2H3,(H,18,19,20)