4-[[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide

Systemtic Name: 4-[[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide Openeye Name: 4-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide CAS Name: 4-[[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]methyl]-N-cyclohexylbenzamide IUPAC Name: 4-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexylbenzamide Traditional Name: 4-[[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]methyl]-N-cyclohexyl-benzamide Formula: C22H29ClN4OS MolecularWeight: 433.00986

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NC3CCCCC3)Cl

Isomeric SMILES

CCN(CC)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NC3CCCCC3)Cl

InChI

InChI=1S/C22H29ClN4OS/c1-3-27(4-2)20-14-19(23)25-22(26-20)29-15-16-10-12-17(13-11-16)21(28)24-18-8-6-5-7-9-18/h10-14,18H,3-9,15H2,1-2H3,(H,24,28)