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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-chloranyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[[4-chloro-6-(4-ethyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[[4-chloro-6-(4-ethylpiperazino)pyrimidin-2-yl]thio]methyl]-N-piperonyl-benzamide Formula: C26H28ClN5O3S MolecularWeight: 526.05022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C26H28ClN5O3S/c1-2-31-9-11-32(12-10-31)24-14-23(27)29-26(30-24)36-16-18-3-6-20(7-4-18)25(33)28-15-19-5-8-21-22(13-19)35-17-34-21/h3-8,13-14H,2,9-12,15-17H2,1H3,(H,28,33)