3-[[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(1,2-diphenylethyl)benzamide

Systemtic Name: 3-[[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(1,2-diphenylethyl)benzamide Openeye Name: 3-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(1,2-diphenylethyl)benzamide CAS Name: 3-[[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]methyl]-N-(1,2-diphenylethyl)benzamide IUPAC Name: 3-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(1,2-diphenylethyl)benzamide Traditional Name: 3-[[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]methyl]-N-(1,2-diphenylethyl)benzamide Formula: C30H31ClN4OS MolecularWeight: 531.11134

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCN(CC)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C30H31ClN4OS/c1-3-35(4-2)28-20-27(31)33-30(34-28)37-21-23-14-11-17-25(18-23)29(36)32-26(24-15-9-6-10-16-24)19-22-12-7-5-8-13-22/h5-18,20,26H,3-4,19,21H2,1-2H3,(H,32,36)