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

Systemtic Name: N-cyclopropyl-4-[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-cyclopropyl-4-[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-cyclopropyl-4-[[[4-(diethylamino)-6-phenyl-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-cyclopropyl-4-[[4-(diethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-cyclopropyl-4-[[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]thio]methyl]benzamide Formula: C25H28N4OS MolecularWeight: 432.58102

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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)NC4CC4

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=C(C=C3)C(=O)NC4CC4

InChI

InChI=1S/C25H28N4OS/c1-3-29(4-2)23-16-22(19-8-6-5-7-9-19)27-25(28-23)31-17-18-10-12-20(13-11-18)24(30)26-21-14-15-21/h5-13,16,21H,3-4,14-15,17H2,1-2H3,(H,26,30)