5-bromanyl-6-(cyclohexylmethyl)-2-phenacylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 5-bromanyl-6-(cyclohexylmethyl)-2-phenacylsulfanyl-1H-pyrimidin-4-one Openeye Name: 5-bromo-6-(cyclohexylmethyl)-2-phenacylsulfanyl-1H-pyrimidin-4-one CAS Name: 5-bromo-6-(cyclohexylmethyl)-2-(phenacylthio)-1H-pyrimidin-4-one IUPAC Name: 5-bromo-6-(cyclohexylmethyl)-2-phenacylsulfanyl-1H-pyrimidin-4-one Traditional Name: 5-bromo-6-(cyclohexylmethyl)-2-(phenacylthio)-1H-pyrimidin-4-one Formula: C19H21BrN2O2S MolecularWeight: 421.35124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC2=C(C(=O)N=C(N2)SCC(=O)C3=CC=CC=C3)Br

Isomeric SMILES

C1CCC(CC1)CC2=C(C(=O)N=C(N2)SCC(=O)C3=CC=CC=C3)Br

InChI

InChI=1S/C19H21BrN2O2S/c20-17-15(11-13-7-3-1-4-8-13)21-19(22-18(17)24)25-12-16(23)14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,21,22,24)