2-[4,6-bis(azanyl)pyrimidin-1-ium-2-yl]sulfanyl-N-(4-chlorophenyl)propanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-1-ium-2-yl]sulfanyl-N-(4-chlorophenyl)propanamide Openeye Name: N-(4-chlorophenyl)-2-(4,6-diaminopyrimidin-1-ium-2-yl)sulfanyl-propanamide CAS Name: N-(4-chlorophenyl)-2-[(4,6-diamino-2-pyrimidin-1-iumyl)thio]propanamide IUPAC Name: N-(4-chlorophenyl)-2-(4,6-diaminopyrimidin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N-(4-chlorophenyl)-2-[(4,6-diaminopyrimidin-1-ium-2-yl)thio]propionamide Formula: C13H15ClN5OS+ MolecularWeight: 324.8091

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Cl)SC2=NC(=CC(=[NH+]2)N)N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Cl)SC2=NC(=CC(=[NH+]2)N)N

InChI

InChI=1S/C13H14ClN5OS/c1-7(21-13-18-10(15)6-11(16)19-13)12(20)17-9-4-2-8(14)3-5-9/h2-7H,1H3,(H,17,20)(H4,15,16,18,19)/p+1