(2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-pyrimidin-2-ylsulfanyl-propan-1-one

Systemtic Name: (2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-pyrimidin-2-ylsulfanyl-propan-1-one Openeye Name: (2S)-1-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-pyrimidin-2-ylsulfanyl-propan-1-one CAS Name: (2S)-1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-(2-pyrimidinylthio)-1-propanone IUPAC Name: (2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyrimidin-2-ylsulfanylpropan-1-one Traditional Name: (2S)-1-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-pyrimidylthio)propan-1-one Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)C(C)SC3=NC=CC=N3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)[C@H](C)SC3=NC=CC=N3

InChI

InChI=1S/C18H19N3O2S/c1-12-10-16(13(2)21(12)11-15-6-4-9-23-15)17(22)14(3)24-18-19-7-5-8-20-18/h4-10,14H,11H2,1-3H3/t14-/m0/s1