4-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-yl-benzamide

Systemtic Name: 4-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-yl-benzamide Openeye Name: 4-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-morpholino-benzamide CAS Name: 4-[[[4-ethyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]-N-(4-morpholinyl)benzamide IUPAC Name: 4-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-ylbenzamide Traditional Name: 4-[[[4-ethyl-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]-N-morpholino-benzamide Formula: C23H32N6O2S MolecularWeight: 456.60418

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NN3CCOCC3)N4CCN(CC4)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NN3CCOCC3)N4CCN(CC4)C

InChI

InChI=1S/C23H32N6O2S/c1-3-20-16-21(28-10-8-27(2)9-11-28)25-23(24-20)32-17-18-4-6-19(7-5-18)22(30)26-29-12-14-31-15-13-29/h4-7,16H,3,8-15,17H2,1-2H3,(H,26,30)