4-pyridin-3-yl-2-(2-pyrimidin-2-ylsulfanylethyl)phthalazin-1-one

Systemtic Name: 4-pyridin-3-yl-2-(2-pyrimidin-2-ylsulfanylethyl)phthalazin-1-one Openeye Name: 4-(3-pyridyl)-2-(2-pyrimidin-2-ylsulfanylethyl)phthalazin-1-one CAS Name: 4-(3-pyridinyl)-2-[2-(2-pyrimidinylthio)ethyl]-1-phthalazinone IUPAC Name: 4-pyridin-3-yl-2-(2-pyrimidin-2-ylsulfanylethyl)phthalazin-1-one Traditional Name: 4-(3-pyridyl)-2-[2-(2-pyrimidylthio)ethyl]phthalazin-1-one Formula: C19H15N5OS MolecularWeight: 361.4203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCSC3=NC=CC=N3)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCSC3=NC=CC=N3)C4=CN=CC=C4

InChI

InChI=1S/C19H15N5OS/c25-18-16-7-2-1-6-15(16)17(14-5-3-8-20-13-14)23-24(18)11-12-26-19-21-9-4-10-22-19/h1-10,13H,11-12H2