3-[[4-(4-ethylpiperazin-1-yl)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 3-[[4-(4-ethylpiperazin-1-yl)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 3-[[4-(4-ethylpiperazin-1-yl)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(3-pyridylmethyl)benzamide CAS Name: 3-[[[4-(4-ethyl-1-piperazinyl)-5,6-dimethyl-2-pyrimidinyl]thio]methyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 3-[[4-(4-ethylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 3-[[[4-(4-ethylpiperazino)-5,6-dimethyl-pyrimidin-2-yl]thio]methyl]-N-(3-pyridylmethyl)benzamide Formula: C26H32N6OS MolecularWeight: 476.63688

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=NC(=C2C)C)SCC3=CC=CC(=C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=NC(=C2C)C)SCC3=CC=CC(=C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C26H32N6OS/c1-4-31-11-13-32(14-12-31)24-19(2)20(3)29-26(30-24)34-18-21-7-5-9-23(15-21)25(33)28-17-22-8-6-10-27-16-22/h5-10,15-16H,4,11-14,17-18H2,1-3H3,(H,28,33)