4-[[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-[(2R)-3-methylbutan-2-yl]benzamide

Systemtic Name: 4-[[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-[(2R)-3-methylbutan-2-yl]benzamide Openeye Name: 4-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-[(1R)-1,2-dimethylpropyl]benzamide CAS Name: 4-[[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]methyl]-N-[(2R)-3-methylbutan-2-yl]benzamide IUPAC Name: 4-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-[(2R)-3-methylbutan-2-yl]benzamide Traditional Name: 4-[[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]methyl]-N-[(1R)-1,2-dimethylpropyl]benzamide Formula: C21H29ClN4OS MolecularWeight: 420.99916

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NC(C)C(C)C)Cl

Isomeric SMILES

CCN(CC)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N[C@H](C)C(C)C)Cl

InChI

InChI=1S/C21H29ClN4OS/c1-6-26(7-2)19-12-18(22)24-21(25-19)28-13-16-8-10-17(11-9-16)20(27)23-15(5)14(3)4/h8-12,14-15H,6-7,13H2,1-5H3,(H,23,27)/t15-/m1/s1