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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)N4CCOCC4)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)N4CCOCC4)Cl

InChI

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