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

Systemtic Name: N-(2-methoxyethyl)-4-[[4-(4-methylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-(2-methoxyethyl)-4-[[4-(4-methylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-(2-methoxyethyl)-4-[[[4-(4-methyl-1-piperazinyl)-6-phenyl-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(2-methoxyethyl)-4-[[4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-(2-methoxyethyl)-4-[[[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=C(C=C4)C(=O)NCCOC

Isomeric SMILES

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

InChI

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