(2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-quinazolin-4-ylsulfanyl-propan-1-one

Systemtic Name: (2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-quinazolin-4-ylsulfanyl-propan-1-one Openeye Name: (2S)-1-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-quinazolin-4-ylsulfanyl-propan-1-one CAS Name: (2S)-1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-quinazolinylthio)-1-propanone IUPAC Name: (2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-quinazolin-4-ylsulfanylpropan-1-one Traditional Name: (2S)-1-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-2-(quinazolin-4-ylthio)propan-1-one Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)C(C)SC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)[C@H](C)SC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C22H21N3O2S/c1-14-11-19(15(2)25(14)12-17-7-6-10-27-17)21(26)16(3)28-22-18-8-4-5-9-20(18)23-13-24-22/h4-11,13,16H,12H2,1-3H3/t16-/m0/s1