3-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide

Systemtic Name: 3-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide Openeye Name: 3-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-isopropyl-benzamide CAS Name: 3-[[[4-(diethylamino)-6-ethyl-2-pyrimidinyl]thio]methyl]-N-propan-2-ylbenzamide IUPAC Name: 3-[[4-(diethylamino)-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-propan-2-ylbenzamide Traditional Name: 3-[[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-isopropyl-benzamide Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC(C)C)N(CC)CC

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC(C)C)N(CC)CC

InChI

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