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

Systemtic Name: 4-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide Openeye Name: 4-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-isobutyl-benzamide CAS Name: 4-[[[4-(diethylamino)-6-ethyl-2-pyrimidinyl]thio]methyl]-N-(2-methylpropyl)benzamide IUPAC Name: 4-[[4-(diethylamino)-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide Traditional Name: 4-[[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-isobutyl-benzamide Formula: C22H32N4OS MolecularWeight: 400.58068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4OS/c1-6-19-13-20(26(7-2)8-3)25-22(24-19)28-15-17-9-11-18(12-10-17)21(27)23-14-16(4)5/h9-13,16H,6-8,14-15H2,1-5H3,(H,23,27)