4-[5-ethanoyl-2-(furan-2-yl)-6-methyl-pyrimidin-4-yl]sulfanyl-1-phenyl-butan-1-one

Systemtic Name: 4-[5-ethanoyl-2-(furan-2-yl)-6-methyl-pyrimidin-4-yl]sulfanyl-1-phenyl-butan-1-one Openeye Name: 4-[5-acetyl-2-(2-furyl)-6-methyl-pyrimidin-4-yl]sulfanyl-1-phenyl-butan-1-one CAS Name: 4-[[5-acetyl-2-(2-furanyl)-6-methyl-4-pyrimidinyl]thio]-1-phenyl-1-butanone IUPAC Name: 4-[5-acetyl-2-(furan-2-yl)-6-methylpyrimidin-4-yl]sulfanyl-1-phenylbutan-1-one Traditional Name: 4-[[5-acetyl-2-(2-furyl)-6-methyl-pyrimidin-4-yl]thio]-1-phenyl-butan-1-one Formula: C21H20N2O3S MolecularWeight: 380.4601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CO2)SCCCC(=O)C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CO2)SCCCC(=O)C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C21H20N2O3S/c1-14-19(15(2)24)21(23-20(22-14)18-11-6-12-26-18)27-13-7-10-17(25)16-8-4-3-5-9-16/h3-6,8-9,11-12H,7,10,13H2,1-2H3