N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]-3-pyrimidin-2-ylsulfanyl-propanamide

Systemtic Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]-3-pyrimidin-2-ylsulfanyl-propanamide Openeye Name: N-[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]-3-pyrimidin-2-ylsulfanyl-propanamide CAS Name: N-[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]-3-(2-pyrimidinylthio)propanamide IUPAC Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-3-pyrimidin-2-ylsulfanylpropanamide Traditional Name: N-[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]-3-(2-pyrimidylthio)propionamide Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CCSC2=NC=CC=N2)CC3=CC=CO3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CCSC2=NC=CC=N2)CC3=CC=CO3)C

InChI

InChI=1S/C19H19N5O2S/c1-13-14(2)24(12-15-5-3-9-26-15)18(16(13)11-20)23-17(25)6-10-27-19-21-7-4-8-22-19/h3-5,7-9H,6,10,12H2,1-2H3,(H,23,25)