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

Systemtic Name: 4-[[4-(4-ethylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide Openeye Name: 4-[[4-(4-ethylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide CAS Name: 4-[[[4-(4-ethyl-1-piperazinyl)-6-phenyl-2-pyrimidinyl]thio]methyl]-N-(2-methoxyethyl)benzamide IUPAC Name: 4-[[4-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide Traditional Name: 4-[[[4-(4-ethylpiperazino)-6-phenyl-pyrimidin-2-yl]thio]methyl]-N-(2-methoxyethyl)benzamide Formula: C27H33N5O2S MolecularWeight: 491.64822

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)NCCOC

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)NCCOC

InChI

InChI=1S/C27H33N5O2S/c1-3-31-14-16-32(17-15-31)25-19-24(22-7-5-4-6-8-22)29-27(30-25)35-20-21-9-11-23(12-10-21)26(33)28-13-18-34-2/h4-12,19H,3,13-18,20H2,1-2H3,(H,28,33)