2-[3-[4-(3-bromanyl-5-methyl-phenyl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[3-[4-(3-bromanyl-5-methyl-phenyl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[3-[4-(3-bromo-5-methyl-phenyl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[3-[4-(3-bromo-5-methylphenyl)-1-piperazinyl]propylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[3-[4-(3-bromo-5-methylphenyl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[3-[4-(3-bromo-5-methyl-phenyl)piperazino]propylthio]-1H-pyrimidin-6-one Formula: C18H23BrN4OS MolecularWeight: 423.37042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)Br)N2CCN(CC2)CCCSC3=NC=CC(=O)N3

Isomeric SMILES

CC1=CC(=CC(=C1)Br)N2CCN(CC2)CCCSC3=NC=CC(=O)N3

InChI

InChI=1S/C18H23BrN4OS/c1-14-11-15(19)13-16(12-14)23-8-6-22(7-9-23)5-2-10-25-18-20-4-3-17(24)21-18/h3-4,11-13H,2,5-10H2,1H3,(H,20,21,24)