4-[[4-chloranyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide

Systemtic Name: 4-[[4-chloranyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide Openeye Name: 4-[[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide CAS Name: 4-[[[4-chloro-6-(4-ethyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]-N-(2-methoxyethyl)benzamide IUPAC Name: 4-[[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide Traditional Name: 4-[[[4-chloro-6-(4-ethylpiperazino)pyrimidin-2-yl]thio]methyl]-N-(2-methoxyethyl)benzamide Formula: C21H28ClN5O2S MolecularWeight: 449.99732

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NCCOC)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NCCOC)Cl

InChI

InChI=1S/C21H28ClN5O2S/c1-3-26-9-11-27(12-10-26)19-14-18(22)24-21(25-19)30-15-16-4-6-17(7-5-16)20(28)23-8-13-29-2/h4-7,14H,3,8-13,15H2,1-2H3,(H,23,28)