3-[[4-chloranyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-propyl-benzamide

Systemtic Name: 3-[[4-chloranyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-propyl-benzamide Openeye Name: 3-[[4-[benzyl(methyl)amino]-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-propyl-benzamide CAS Name: 3-[[[4-chloro-6-[methyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]methyl]-N-propylbenzamide IUPAC Name: 3-[[4-[benzyl(methyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-propylbenzamide Traditional Name: 3-[[[4-[benzyl(methyl)amino]-6-chloro-pyrimidin-2-yl]thio]methyl]-N-propyl-benzamide Formula: C23H25ClN4OS MolecularWeight: 440.9888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N(C)CC3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C23H25ClN4OS/c1-3-12-25-22(29)19-11-7-10-18(13-19)16-30-23-26-20(24)14-21(27-23)28(2)15-17-8-5-4-6-9-17/h4-11,13-14H,3,12,15-16H2,1-2H3,(H,25,29)