N-[[3-methyl-7-[(E)-3-phenylprop-2-enoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[[3-methyl-7-[(E)-3-phenylprop-2-enoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[[3-methyl-7-[(E)-3-phenylprop-2-enoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[[3-methyl-7-[(E)-1-oxo-3-phenylprop-2-enyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[[3-methyl-7-[(E)-3-phenylprop-2-enoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[[3-methyl-7-[(E)-3-phenylacryloyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-(2-pyrimidylthio)acetamide Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2CN(CCC2=C1CNC(=O)CSC3=NC=CC=N3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC1=NC=C2CN(CCC2=C1CNC(=O)CSC3=NC=CC=N3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H25N5O2S/c1-18-22(15-29-23(31)17-33-25-26-11-5-12-27-25)21-10-13-30(16-20(21)14-28-18)24(32)9-8-19-6-3-2-4-7-19/h2-9,11-12,14H,10,13,15-17H2,1H3,(H,29,31)/b9-8+