N-ethyl-4-[[4-(4-ethylpiperazin-1-yl)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-ethyl-4-[[4-(4-ethylpiperazin-1-yl)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-ethyl-4-[[4-(4-ethylpiperazin-1-yl)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-ethyl-4-[[[4-(4-ethyl-1-piperazinyl)-5,6-dimethyl-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-ethyl-4-[[4-(4-ethylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-ethyl-4-[[[4-(4-ethylpiperazino)-5,6-dimethyl-pyrimidin-2-yl]thio]methyl]benzamide Formula: C22H31N5OS MolecularWeight: 413.57944

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC=C(C=C1)CSC2=NC(=C(C(=N2)N3CCN(CC3)CC)C)C

Isomeric SMILES

CCNC(=O)C1=CC=C(C=C1)CSC2=NC(=C(C(=N2)N3CCN(CC3)CC)C)C

InChI

InChI=1S/C22H31N5OS/c1-5-23-21(28)19-9-7-18(8-10-19)15-29-22-24-17(4)16(3)20(25-22)27-13-11-26(6-2)12-14-27/h7-10H,5-6,11-15H2,1-4H3,(H,23,28)