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

Systemtic Name: 3-[[4-[methyl(propyl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide Openeye Name: N-isopropyl-3-[[4-[methyl(propyl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: 3-[[[4-[methyl(propyl)amino]-6-phenyl-2-pyrimidinyl]thio]methyl]-N-propan-2-ylbenzamide IUPAC Name: 3-[[4-[methyl(propyl)amino]-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-propan-2-ylbenzamide Traditional Name: N-isopropyl-3-[[[4-[methyl(propyl)amino]-6-phenyl-pyrimidin-2-yl]thio]methyl]benzamide Formula: C25H30N4OS MolecularWeight: 434.5969

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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)NC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4OS/c1-5-14-29(4)23-16-22(20-11-7-6-8-12-20)27-25(28-23)31-17-19-10-9-13-21(15-19)24(30)26-18(2)3/h6-13,15-16,18H,5,14,17H2,1-4H3,(H,26,30)