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

Systemtic Name: morpholin-4-yl-[3-[(4-propan-2-yl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]methanone Openeye Name: [3-[(4-isopropyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-morpholino-methanone CAS Name: 4-morpholinyl-[3-[[[4-propan-2-yl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]phenyl]methanone IUPAC Name: morpholin-4-yl-[3-[(4-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanone Traditional Name: [3-[[(4-isopropyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]phenyl]-morpholino-methanone Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCOCC3)N4CCCC4

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCOCC3)N4CCCC4

InChI

InChI=1S/C23H30N4O2S/c1-17(2)20-15-21(26-8-3-4-9-26)25-23(24-20)30-16-18-6-5-7-19(14-18)22(28)27-10-12-29-13-11-27/h5-7,14-15,17H,3-4,8-13,16H2,1-2H3