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

Systemtic Name: 1-[4-[3-[(4-propan-2-yl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[3-[(4-isopropyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[oxo-[3-[[[4-propan-2-yl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]phenyl]methyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[3-[(4-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[3-[[(4-isopropyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]benzoyl]piperazino]ethanone Formula: C25H33N5O2S MolecularWeight: 467.62682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCN(CC3)C(=O)C)N4CCCC4

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCN(CC3)C(=O)C)N4CCCC4

InChI

InChI=1S/C25H33N5O2S/c1-18(2)22-16-23(29-9-4-5-10-29)27-25(26-22)33-17-20-7-6-8-21(15-20)24(32)30-13-11-28(12-14-30)19(3)31/h6-8,15-16,18H,4-5,9-14,17H2,1-3H3