2-[4-[4-(4-tert-butylphenyl)carbonyl-3-methyl-piperazin-1-yl]-6-chloranyl-pyrimidin-2-yl]sulfanyl-N,N-diethyl-ethanamide

Systemtic Name: 2-[4-[4-(4-tert-butylphenyl)carbonyl-3-methyl-piperazin-1-yl]-6-chloranyl-pyrimidin-2-yl]sulfanyl-N,N-diethyl-ethanamide Openeye Name: 2-[4-[4-(4-tert-butylbenzoyl)-3-methyl-piperazin-1-yl]-6-chloro-pyrimidin-2-yl]sulfanyl-N,N-diethyl-acetamide CAS Name: 2-[[4-[4-[(4-tert-butylphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-6-chloro-2-pyrimidinyl]thio]-N,N-diethylacetamide IUPAC Name: 2-[4-[4-(4-tert-butylbenzoyl)-3-methylpiperazin-1-yl]-6-chloropyrimidin-2-yl]sulfanyl-N,N-diethylacetamide Traditional Name: 2-[[4-[4-(4-tert-butylbenzoyl)-3-methyl-piperazino]-6-chloro-pyrimidin-2-yl]thio]-N,N-diethyl-acetamide Formula: C26H36ClN5O2S MolecularWeight: 518.11434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36ClN5O2S/c1-7-30(8-2)23(33)17-35-25-28-21(27)15-22(29-25)31-13-14-32(18(3)16-31)24(34)19-9-11-20(12-10-19)26(4,5)6/h9-12,15,18H,7-8,13-14,16-17H2,1-6H3