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

Systemtic Name: 4-[[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(3,3-diphenylpropyl)benzamide Openeye Name: 4-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(3,3-diphenylpropyl)benzamide CAS Name: 4-[[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]methyl]-N-(3,3-diphenylpropyl)benzamide IUPAC Name: 4-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(3,3-diphenylpropyl)benzamide Traditional Name: 4-[[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]methyl]-N-(3,3-diphenylpropyl)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)NCCC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

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

InChI

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