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

Systemtic Name: 3-[[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(diphenylmethyl)benzamide Openeye Name: N-benzhydryl-3-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: 3-[[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]methyl]-N-(diphenylmethyl)benzamide IUPAC Name: N-benzhydryl-3-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-benzhydryl-3-[[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]methyl]benzamide Formula: C29H29ClN4OS MolecularWeight: 517.08476

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCN(CC)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C29H29ClN4OS/c1-3-34(4-2)26-19-25(30)31-29(32-26)36-20-21-12-11-17-24(18-21)28(35)33-27(22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-19,27H,3-4,20H2,1-2H3,(H,33,35)