N-(2-methoxyethyl)-3-[[4-methyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-(2-methoxyethyl)-3-[[4-methyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: 3-[[4-(4-benzylpiperazin-1-yl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide CAS Name: N-(2-methoxyethyl)-3-[[[4-methyl-6-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: 3-[[4-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide Traditional Name: 3-[[[4-(4-benzylpiperazino)-6-methyl-pyrimidin-2-yl]thio]methyl]-N-(2-methoxyethyl)benzamide Formula: C27H33N5O2S MolecularWeight: 491.64822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCOC)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCOC)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H33N5O2S/c1-21-17-25(32-14-12-31(13-15-32)19-22-7-4-3-5-8-22)30-27(29-21)35-20-23-9-6-10-24(18-23)26(33)28-11-16-34-2/h3-10,17-18H,11-16,19-20H2,1-2H3,(H,28,33)