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

Systemtic Name: N-(2-morpholin-4-ylethyl)-3-[(4-propan-2-yl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: 3-[(4-isopropyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(2-morpholinoethyl)benzamide CAS Name: N-[2-(4-morpholinyl)ethyl]-3-[[[4-propan-2-yl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(2-morpholin-4-ylethyl)-3-[(4-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: 3-[[(4-isopropyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-(2-morpholinoethyl)benzamide Formula: C25H35N5O2S MolecularWeight: 469.6427

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCN3CCOCC3)N4CCCC4

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCN3CCOCC3)N4CCCC4

InChI

InChI=1S/C25H35N5O2S/c1-19(2)22-17-23(30-9-3-4-10-30)28-25(27-22)33-18-20-6-5-7-21(16-20)24(31)26-8-11-29-12-14-32-15-13-29/h5-7,16-17,19H,3-4,8-15,18H2,1-2H3,(H,26,31)