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

Systemtic Name: (4-methylpiperazin-1-yl)-[3-[(4-phenyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]methanone Openeye Name: (4-methylpiperazin-1-yl)-[3-[(4-phenyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]methanone CAS Name: (4-methyl-1-piperazinyl)-[3-[[[4-phenyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]phenyl]methanone IUPAC Name: (4-methylpiperazin-1-yl)-[3-[(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanone Traditional Name: (4-methylpiperazino)-[3-[[(4-phenyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]phenyl]methanone Formula: C27H31N5OS MolecularWeight: 473.63294

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)N4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)N4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H31N5OS/c1-30-14-16-32(17-15-30)26(33)23-11-7-8-21(18-23)20-34-27-28-24(22-9-3-2-4-10-22)19-25(29-27)31-12-5-6-13-31/h2-4,7-11,18-19H,5-6,12-17,20H2,1H3