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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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