4-[[4-[bis(prop-2-enyl)amino]-6-chloranyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethoxy-benzamide

Systemtic Name: 4-[[4-[bis(prop-2-enyl)amino]-6-chloranyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethoxy-benzamide Openeye Name: 4-[[4-chloro-6-(diallylamino)pyrimidin-2-yl]sulfanylmethyl]-N-ethoxy-benzamide CAS Name: 4-[[[4-[bis(prop-2-enyl)amino]-6-chloro-2-pyrimidinyl]thio]methyl]-N-ethoxybenzamide IUPAC Name: 4-[[4-[bis(prop-2-enyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-ethoxybenzamide Traditional Name: 4-[[[4-chloro-6-(diallylamino)pyrimidin-2-yl]thio]methyl]-N-ethoxy-benzamide Formula: C20H23ClN4O2S MolecularWeight: 418.94022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCONC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N(CC=C)CC=C

Isomeric SMILES

CCONC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N(CC=C)CC=C

InChI

InChI=1S/C20H23ClN4O2S/c1-4-11-25(12-5-2)18-13-17(21)22-20(23-18)28-14-15-7-9-16(10-8-15)19(26)24-27-6-3/h4-5,7-10,13H,1-2,6,11-12,14H2,3H3,(H,24,26)