2-[4-chloranyl-6-[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(diphenylmethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(diphenylmethyl)ethanamide Openeye Name: N-benzhydryl-2-[4-chloro-6-[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(3-methyl-1-oxobutyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(diphenylmethyl)acetamide IUPAC Name: N-benzhydryl-2-[4-chloro-6-[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-benzhydryl-2-[[4-chloro-6-(4-isovaleryl-3-methyl-piperazino)pyrimidin-2-yl]thio]acetamide Formula: C29H34ClN5O2S MolecularWeight: 552.13056

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC(C)C)C2=CC(=NC(=N2)SCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)CC(C)C)C2=CC(=NC(=N2)SCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C29H34ClN5O2S/c1-20(2)16-27(37)35-15-14-34(18-21(35)3)25-17-24(30)31-29(32-25)38-19-26(36)33-28(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,17,20-21,28H,14-16,18-19H2,1-3H3,(H,33,36)