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

Systemtic Name: N-butan-2-yl-2-[4-chloranyl-6-[4-(3-methoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[4-chloro-6-[4-(3-methoxybenzoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[[4-chloro-6-[4-[(3-methoxyphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]acetamide IUPAC Name: N-butan-2-yl-2-[4-chloro-6-[4-(3-methoxybenzoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-chloro-6-(4-m-anisoyl-3-methyl-piperazino)pyrimidin-2-yl]thio]-N-sec-butyl-acetamide Formula: C23H30ClN5O3S MolecularWeight: 492.034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClN5O3S/c1-5-15(2)25-21(30)14-33-23-26-19(24)12-20(27-23)28-9-10-29(16(3)13-28)22(31)17-7-6-8-18(11-17)32-4/h6-8,11-12,15-16H,5,9-10,13-14H2,1-4H3,(H,25,30)