2-[4-chloranyl-6-(4-cyclopropylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopropylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-chloro-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-2-pyrimidinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-chloro-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[[4-chloro-6-[4-(cyclopropanecarbonyl)piperazino]pyrimidin-2-yl]thio]acetamide Formula: C21H24ClN5O2S MolecularWeight: 445.96556

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)NCC4=CC=CC=C4)Cl

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)NCC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H24ClN5O2S/c22-17-12-18(26-8-10-27(11-9-26)20(29)16-6-7-16)25-21(24-17)30-14-19(28)23-13-15-4-2-1-3-5-15/h1-5,12,16H,6-11,13-14H2,(H,23,28)