N-(2-methylpropyl)-3-[(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide

Systemtic Name: N-(2-methylpropyl)-3-[(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: N-isobutyl-3-[(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: N-(2-methylpropyl)-3-[[[4-methyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(2-methylpropyl)-3-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: N-isobutyl-3-[[(4-methyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]benzamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC(C)C)N3CCCC3

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC(C)C)N3CCCC3

InChI

InChI=1S/C21H28N4OS/c1-15(2)13-22-20(26)18-8-6-7-17(12-18)14-27-21-23-16(3)11-19(24-21)25-9-4-5-10-25/h6-8,11-12,15H,4-5,9-10,13-14H2,1-3H3,(H,22,26)