N-cyclopropyl-3-[(4-ethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide

Systemtic Name: N-cyclopropyl-3-[(4-ethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: N-cyclopropyl-3-[(4-ethyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: N-cyclopropyl-3-[[[4-ethyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-cyclopropyl-3-[(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: N-cyclopropyl-3-[[(4-ethyl-6-morpholino-pyrimidin-2-yl)thio]methyl]benzamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC3CC3)N4CCOCC4

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC3CC3)N4CCOCC4

InChI

InChI=1S/C21H26N4O2S/c1-2-17-13-19(25-8-10-27-11-9-25)24-21(23-17)28-14-15-4-3-5-16(12-15)20(26)22-18-6-7-18/h3-5,12-13,18H,2,6-11,14H2,1H3,(H,22,26)