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

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-chloro-6-[4-(cyclopropanecarbonyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclopropyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-chloro-6-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[[4-chloro-6-[4-(cyclopropanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]acetamide Formula: C22H26ClN5O2S MolecularWeight: 459.99214

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CC2)C3=CC(=NC(=N3)SCC(=O)NCC4=CC=CC=C4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2CC2)C3=CC(=NC(=N3)SCC(=O)NCC4=CC=CC=C4)Cl

InChI

InChI=1S/C22H26ClN5O2S/c1-15-13-27(9-10-28(15)21(30)17-7-8-17)19-11-18(23)25-22(26-19)31-14-20(29)24-12-16-5-3-2-4-6-16/h2-6,11,15,17H,7-10,12-14H2,1H3,(H,24,29)