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

Systemtic Name: 4-[[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-4-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide CAS Name: 4-[[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]methyl]-N-phenethyl-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-4-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-phenethylbenzamide Traditional Name: N-benzyl-4-[[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]methyl]-N-phenethyl-benzamide Formula: C31H33ClN4OS MolecularWeight: 545.13792

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CCN(CC)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C31H33ClN4OS/c1-3-35(4-2)29-21-28(32)33-31(34-29)38-23-26-15-17-27(18-16-26)30(37)36(22-25-13-9-6-10-14-25)20-19-24-11-7-5-8-12-24/h5-18,21H,3-4,19-20,22-23H2,1-2H3