4-[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide

Systemtic Name: 4-[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide Openeye Name: 4-[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-furylmethyl)benzamide CAS Name: 4-[[[4-(diethylamino)-6-phenyl-2-pyrimidinyl]thio]methyl]-N-(2-furanylmethyl)benzamide IUPAC Name: 4-[[4-(diethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide Traditional Name: 4-[[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]thio]methyl]-N-(2-furfuryl)benzamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=C(C=C3)C(=O)NCC4=CC=CO4

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=C(C=C3)C(=O)NCC4=CC=CO4

InChI

InChI=1S/C27H28N4O2S/c1-3-31(4-2)25-17-24(21-9-6-5-7-10-21)29-27(30-25)34-19-20-12-14-22(15-13-20)26(32)28-18-23-11-8-16-33-23/h5-17H,3-4,18-19H2,1-2H3,(H,28,32)