4-[[4-(diethylamino)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide

Systemtic Name: 4-[[4-(diethylamino)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide Openeye Name: 4-[[4-(diethylamino)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-isopropyl-benzamide CAS Name: 4-[[[4-(diethylamino)-5,6-dimethyl-2-pyrimidinyl]thio]methyl]-N-propan-2-ylbenzamide IUPAC Name: 4-[[4-(diethylamino)-5,6-dimethylpyrimidin-2-yl]sulfanylmethyl]-N-propan-2-ylbenzamide Traditional Name: 4-[[[4-(diethylamino)-5,6-dimethyl-pyrimidin-2-yl]thio]methyl]-N-isopropyl-benzamide Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1C)C)SCC2=CC=C(C=C2)C(=O)NC(C)C

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1C)C)SCC2=CC=C(C=C2)C(=O)NC(C)C

InChI

InChI=1S/C21H30N4OS/c1-7-25(8-2)19-15(5)16(6)23-21(24-19)27-13-17-9-11-18(12-10-17)20(26)22-14(3)4/h9-12,14H,7-8,13H2,1-6H3,(H,22,26)