[3-[(4-chloranyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [3-[(4-chloranyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [3-[(4-chloro-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [3-[[[4-chloro-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [3-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [3-[[(4-chloro-6-morpholino-pyrimidin-2-yl)thio]methyl]phenyl]-pyrrolidino-methanone Formula: C20H23ClN4O2S MolecularWeight: 418.94022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCOCC4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCOCC4

InChI

InChI=1S/C20H23ClN4O2S/c21-17-13-18(24-8-10-27-11-9-24)23-20(22-17)28-14-15-4-3-5-16(12-15)19(26)25-6-1-2-7-25/h3-5,12-13H,1-2,6-11,14H2