N-[3-(1,3-benzothiazol-2-yl)propyl]-5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-5-chloro-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-5-chloro-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-5-chloro-2-(methylthio)pyrimidine-4-carboxamide Formula: C16H15ClN4OS2 MolecularWeight: 378.8995

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NCCCC2=NC3=CC=CC=C3S2)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NCCCC2=NC3=CC=CC=C3S2)Cl

InChI

InChI=1S/C16H15ClN4OS2/c1-23-16-19-9-10(17)14(21-16)15(22)18-8-4-7-13-20-11-5-2-3-6-12(11)24-13/h2-3,5-6,9H,4,7-8H2,1H3,(H,18,22)