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

Systemtic Name: [3-[(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [3-[(4-methyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [3-[[[4-methyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [3-[[(4-methyl-6-morpholino-pyrimidin-2-yl)thio]methyl]phenyl]-pyrrolidino-methanone Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCCC3)N4CCOCC4

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCCC3)N4CCOCC4

InChI

InChI=1S/C21H26N4O2S/c1-16-13-19(24-9-11-27-12-10-24)23-21(22-16)28-15-17-5-4-6-18(14-17)20(26)25-7-2-3-8-25/h4-6,13-14H,2-3,7-12,15H2,1H3