N-(2-methoxyethyl)-3-[[4-(4-methylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-(2-methoxyethyl)-3-[[4-(4-methylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-(2-methoxyethyl)-3-[[4-(4-methylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-(2-methoxyethyl)-3-[[[4-(4-methyl-1-piperazinyl)-6-phenyl-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(2-methoxyethyl)-3-[[4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-(2-methoxyethyl)-3-[[[4-(4-methylpiperazino)-6-phenyl-pyrimidin-2-yl]thio]methyl]benzamide Formula: C26H31N5O2S MolecularWeight: 477.62164

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=CC(=C4)C(=O)NCCOC

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=CC(=C4)C(=O)NCCOC

InChI

InChI=1S/C26H31N5O2S/c1-30-12-14-31(15-13-30)24-18-23(21-8-4-3-5-9-21)28-26(29-24)34-19-20-7-6-10-22(17-20)25(32)27-11-16-33-2/h3-10,17-18H,11-16,19H2,1-2H3,(H,27,32)