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

Systemtic Name: 4-[(4-chloranyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]-N-cyclopropyl-benzamide Openeye Name: 4-[(4-chloro-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]-N-cyclopropyl-benzamide CAS Name: 4-[[[4-chloro-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]-N-cyclopropylbenzamide IUPAC Name: 4-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]-N-cyclopropylbenzamide Traditional Name: 4-[[(4-chloro-6-morpholino-pyrimidin-2-yl)thio]methyl]-N-cyclopropyl-benzamide Formula: C19H21ClN4O2S MolecularWeight: 404.91364

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCOCC4

Isomeric SMILES

C1CC1NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCOCC4

InChI

InChI=1S/C19H21ClN4O2S/c20-16-11-17(24-7-9-26-10-8-24)23-19(22-16)27-12-13-1-3-14(4-2-13)18(25)21-15-5-6-15/h1-4,11,15H,5-10,12H2,(H,21,25)