[4-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [4-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [4-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone CAS Name: [4-[[[4,5-dimethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [4-[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [4-[[(4,5-dimethyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]phenyl]-(4-methylpiperazino)methanone Formula: C23H31N5OS MolecularWeight: 425.59014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCCC2)SCC3=CC=C(C=C3)C(=O)N4CCN(CC4)C)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCCC2)SCC3=CC=C(C=C3)C(=O)N4CCN(CC4)C)C

InChI

InChI=1S/C23H31N5OS/c1-17-18(2)24-23(25-21(17)27-10-4-5-11-27)30-16-19-6-8-20(9-7-19)22(29)28-14-12-26(3)13-15-28/h6-9H,4-5,10-16H2,1-3H3