2-[4-chloranyl-6-[4-(3-methoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-methoxyethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-[4-(3-methoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-methoxyethyl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(3-methoxybenzoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-methoxyethyl)acetamide CAS Name: 2-[[4-chloro-6-[4-[(3-methoxyphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-(2-methoxyethyl)acetamide IUPAC Name: 2-[4-chloro-6-[4-(3-methoxybenzoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-methoxyethyl)acetamide Traditional Name: 2-[[4-chloro-6-(4-m-anisoyl-3-methyl-piperazino)pyrimidin-2-yl]thio]-N-(2-methoxyethyl)acetamide Formula: C22H28ClN5O4S MolecularWeight: 494.00682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC(=CC=C2)OC)C3=CC(=NC(=N3)SCC(=O)NCCOC)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC(=CC=C2)OC)C3=CC(=NC(=N3)SCC(=O)NCCOC)Cl

InChI

InChI=1S/C22H28ClN5O4S/c1-15-13-27(8-9-28(15)21(30)16-5-4-6-17(11-16)32-3)19-12-18(23)25-22(26-19)33-14-20(29)24-7-10-31-2/h4-6,11-12,15H,7-10,13-14H2,1-3H3,(H,24,29)