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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C)NC(=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/c1-7-17(2)28-23(33)16-35-25-29-21(27)14-22(30-25)31-12-13-32(18(3)15-31)24(34)19-8-10-20(11-9-19)26(4,5)6/h8-11,14,17-18H,7,12-13,15-16H2,1-6H3,(H,28,33)