5-chloranyl-N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C16H15Cl2N3O3S MolecularWeight: 400.2796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3)Cl

InChI

InChI=1S/C16H15Cl2N3O3S/c1-25-16-20-8-11(18)13(21-16)15(22)19-7-9-5-10(17)14-12(6-9)23-3-2-4-24-14/h5-6,8H,2-4,7H2,1H3,(H,19,22)