N-cyclopropyl-4-[[4-ethyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-cyclopropyl-4-[[4-ethyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[4-[benzyl(methyl)amino]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-benzamide CAS Name: N-cyclopropyl-4-[[[4-ethyl-6-[methyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: 4-[[4-[benzyl(methyl)amino]-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylbenzamide Traditional Name: 4-[[[4-[benzyl(methyl)amino]-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-cyclopropyl-benzamide Formula: C25H28N4OS MolecularWeight: 432.58102

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NC3CC3)N(C)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NC3CC3)N(C)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N4OS/c1-3-21-15-23(29(2)16-18-7-5-4-6-8-18)28-25(27-21)31-17-19-9-11-20(12-10-19)24(30)26-22-13-14-22/h4-12,15,22H,3,13-14,16-17H2,1-2H3,(H,26,30)