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

Systemtic Name: [4-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [4-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone CAS Name: [4-[[[4-ethyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]phenyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [4-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [4-[[[4-ethyl-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]phenyl]-(4-methylpiperazino)methanone Formula: C24H34N6OS MolecularWeight: 454.63136

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C)N4CCN(CC4)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C)N4CCN(CC4)C

InChI

InChI=1S/C24H34N6OS/c1-4-21-17-22(29-13-9-27(2)10-14-29)26-24(25-21)32-18-19-5-7-20(8-6-19)23(31)30-15-11-28(3)12-16-30/h5-8,17H,4,9-16,18H2,1-3H3