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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)N3CCCC3)C(C)C

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)N3CCCC3)C(C)C

InChI

InChI=1S/C21H28N4OS/c1-4-22-20(26)17-9-7-8-16(12-17)14-27-21-23-18(15(2)3)13-19(24-21)25-10-5-6-11-25/h7-9,12-13,15H,4-6,10-11,14H2,1-3H3,(H,22,26)