(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone

Systemtic Name: (5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone Openeye Name: (5-chloro-2-methylsulfanyl-pyrimidin-4-yl)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone CAS Name: [5-chloro-2-(methylthio)-4-pyrimidinyl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]methanone IUPAC Name: (5-chloro-2-methylsulfanylpyrimidin-4-yl)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone Traditional Name: [5-chloro-2-(methylthio)pyrimidin-4-yl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]methanone Formula: C18H18ClN3O3S MolecularWeight: 391.87182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)N2CCCC2C3=CC4=C(C=C3)OCCO4)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)N2CCCC2C3=CC4=C(C=C3)OCCO4)Cl

InChI

InChI=1S/C18H18ClN3O3S/c1-26-18-20-10-12(19)16(21-18)17(23)22-6-2-3-13(22)11-4-5-14-15(9-11)25-8-7-24-14/h4-5,9-10,13H,2-3,6-8H2,1H3