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

Systemtic Name: 2-[4-chloranyl-6-[3-methyl-4-(4-methylphenyl)carbonyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propyl-ethanamide Openeye Name: 2-[4-chloro-6-[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propyl-acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-2-pyrimidinyl]thio]-N-propylacetamide IUPAC Name: 2-[4-chloro-6-[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propylacetamide Traditional Name: 2-[[4-chloro-6-(3-methyl-4-p-toluoyl-piperazino)pyrimidin-2-yl]thio]-N-propyl-acetamide Formula: C22H28ClN5O2S MolecularWeight: 462.00802

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H28ClN5O2S/c1-4-9-24-20(29)14-31-22-25-18(23)12-19(26-22)27-10-11-28(16(3)13-27)21(30)17-7-5-15(2)6-8-17/h5-8,12,16H,4,9-11,13-14H2,1-3H3,(H,24,29)