4-[2-azanyl-5-(4-bromophenyl)sulfanyl-pyrimidin-4-yl]cyclohexan-1-one

Systemtic Name: 4-[2-azanyl-5-(4-bromophenyl)sulfanyl-pyrimidin-4-yl]cyclohexan-1-one Openeye Name: 4-[2-amino-5-(4-bromophenyl)sulfanyl-pyrimidin-4-yl]cyclohexanone CAS Name: 4-[2-amino-5-[(4-bromophenyl)thio]-4-pyrimidinyl]-1-cyclohexanone IUPAC Name: 4-[2-amino-5-(4-bromophenyl)sulfanylpyrimidin-4-yl]cyclohexan-1-one Traditional Name: 4-[2-amino-5-[(4-bromophenyl)thio]pyrimidin-4-yl]cyclohexanone Formula: C16H16BrN3OS MolecularWeight: 378.28674

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CCC1C2=NC(=NC=C2SC3=CC=C(C=C3)Br)N

Isomeric SMILES

C1CC(=O)CCC1C2=NC(=NC=C2SC3=CC=C(C=C3)Br)N

InChI

InChI=1S/C16H16BrN3OS/c17-11-3-7-13(8-4-11)22-14-9-19-16(18)20-15(14)10-1-5-12(21)6-2-10/h3-4,7-10H,1-2,5-6H2,(H2,18,19,20)