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

Systemtic Name: 3-[[4-(diethylamino)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide Openeye Name: 3-[[4-(diethylamino)-6-isopropyl-pyrimidin-2-yl]sulfanylmethyl]-N-isobutyl-benzamide CAS Name: 3-[[[4-(diethylamino)-6-propan-2-yl-2-pyrimidinyl]thio]methyl]-N-(2-methylpropyl)benzamide IUPAC Name: 3-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide Traditional Name: 3-[[[4-(diethylamino)-6-isopropyl-pyrimidin-2-yl]thio]methyl]-N-isobutyl-benzamide Formula: C23H34N4OS MolecularWeight: 414.60726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N4OS/c1-7-27(8-2)21-13-20(17(5)6)25-23(26-21)29-15-18-10-9-11-19(12-18)22(28)24-14-16(3)4/h9-13,16-17H,7-8,14-15H2,1-6H3,(H,24,28)