2-[4-chloranyl-6-(3-methyl-4-pentanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(3-methyl-4-pentanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[4-chloro-6-(3-methyl-4-pentanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3-pyridylmethyl)acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxopentyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[4-chloro-6-(3-methyl-4-pentanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[[4-chloro-6-(3-methyl-4-valeryl-piperazino)pyrimidin-2-yl]thio]-N-(3-pyridylmethyl)acetamide Formula: C22H29ClN6O2S MolecularWeight: 477.02266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCC3=CN=CC=C3)Cl

Isomeric SMILES

CCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCC3=CN=CC=C3)Cl

InChI

InChI=1S/C22H29ClN6O2S/c1-3-4-7-21(31)29-10-9-28(14-16(29)2)19-11-18(23)26-22(27-19)32-15-20(30)25-13-17-6-5-8-24-12-17/h5-6,8,11-12,16H,3-4,7,9-10,13-15H2,1-2H3,(H,25,30)