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

Systemtic Name: [3-[(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-morpholin-4-yl-methanone Openeye Name: [3-[(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-morpholino-methanone CAS Name: [3-[[[4-methyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-(4-morpholinyl)methanone IUPAC Name: [3-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone Traditional Name: [3-[[(4-methyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]phenyl]-morpholino-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)N3CCOCC3)N4CCCC4

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCOCC3)N4CCCC4

InChI

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