3-[[4-[cyclohexyl(methyl)amino]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-benzamide

Systemtic Name: 3-[[4-[cyclohexyl(methyl)amino]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-benzamide Openeye Name: 3-[[4-[cyclohexyl(methyl)amino]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-benzamide CAS Name: 3-[[[4-[cyclohexyl(methyl)amino]-6-ethyl-2-pyrimidinyl]thio]methyl]-N-ethylbenzamide IUPAC Name: 3-[[4-[cyclohexyl(methyl)amino]-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-ethylbenzamide Traditional Name: 3-[[[4-[cyclohexyl(methyl)amino]-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-ethyl-benzamide Formula: C23H32N4OS MolecularWeight: 412.59138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC)N(C)C3CCCCC3

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC)N(C)C3CCCCC3

InChI

InChI=1S/C23H32N4OS/c1-4-19-15-21(27(3)20-12-7-6-8-13-20)26-23(25-19)29-16-17-10-9-11-18(14-17)22(28)24-5-2/h9-11,14-15,20H,4-8,12-13,16H2,1-3H3,(H,24,28)