3-[[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide

Systemtic Name: 3-[[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide Openeye Name: 3-[[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-isopropyl-benzamide CAS Name: 3-[[[4-ethyl-6-(4-ethyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]-N-propan-2-ylbenzamide IUPAC Name: 3-[[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-ylbenzamide Traditional Name: 3-[[[4-ethyl-6-(4-ethylpiperazino)pyrimidin-2-yl]thio]methyl]-N-isopropyl-benzamide Formula: C23H33N5OS MolecularWeight: 427.60602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC(C)C)N3CCN(CC3)CC

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC(C)C)N3CCN(CC3)CC

InChI

InChI=1S/C23H33N5OS/c1-5-20-15-21(28-12-10-27(6-2)11-13-28)26-23(25-20)30-16-18-8-7-9-19(14-18)22(29)24-17(3)4/h7-9,14-15,17H,5-6,10-13,16H2,1-4H3,(H,24,29)