4-chloranyl-2-methylsulfanyl-N-(phenylmethyl)-6-(3-phenylpropylamino)pyrimidine-5-carboxamide

Systemtic Name: 4-chloranyl-2-methylsulfanyl-N-(phenylmethyl)-6-(3-phenylpropylamino)pyrimidine-5-carboxamide Openeye Name: N-benzyl-4-chloro-2-methylsulfanyl-6-(3-phenylpropylamino)pyrimidine-5-carboxamide CAS Name: 4-chloro-2-(methylthio)-N-(phenylmethyl)-6-(3-phenylpropylamino)-5-pyrimidinecarboxamide IUPAC Name: N-benzyl-4-chloro-2-methylsulfanyl-6-(3-phenylpropylamino)pyrimidine-5-carboxamide Traditional Name: N-benzyl-4-chloro-2-(methylthio)-6-(3-phenylpropylamino)pyrimidine-5-carboxamide Formula: C22H23ClN4OS MolecularWeight: 426.96222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)Cl)C(=O)NCC2=CC=CC=C2)NCCCC3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=C(C(=N1)Cl)C(=O)NCC2=CC=CC=C2)NCCCC3=CC=CC=C3

InChI

InChI=1S/C22H23ClN4OS/c1-29-22-26-19(23)18(21(28)25-15-17-11-6-3-7-12-17)20(27-22)24-14-8-13-16-9-4-2-5-10-16/h2-7,9-12H,8,13-15H2,1H3,(H,25,28)(H,24,26,27)