N-(2-methylpropyl)-3-[[4-[methyl(propyl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-(2-methylpropyl)-3-[[4-[methyl(propyl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-isobutyl-3-[[4-[methyl(propyl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-(2-methylpropyl)-3-[[[4-[methyl(propyl)amino]-6-phenyl-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(2-methylpropyl)-3-[[4-[methyl(propyl)amino]-6-phenylpyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-isobutyl-3-[[[4-[methyl(propyl)amino]-6-phenyl-pyrimidin-2-yl]thio]methyl]benzamide Formula: C26H32N4OS MolecularWeight: 448.62348

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)C1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=CC(=C3)C(=O)NCC(C)C

Isomeric SMILES

CCCN(C)C1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=CC(=C3)C(=O)NCC(C)C

InChI

InChI=1S/C26H32N4OS/c1-5-14-30(4)24-16-23(21-11-7-6-8-12-21)28-26(29-24)32-18-20-10-9-13-22(15-20)25(31)27-17-19(2)3/h6-13,15-16,19H,5,14,17-18H2,1-4H3,(H,27,31)