2-[4,6-bis(azanyl)pyrimidine-1,3-diium-2-yl]sulfanyl-N-(3-chlorophenyl)propanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidine-1,3-diium-2-yl]sulfanyl-N-(3-chlorophenyl)propanamide Openeye Name: N-(3-chlorophenyl)-2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-propanamide CAS Name: N-(3-chlorophenyl)-2-[(4,6-diamino-2-pyrimidine-1,3-diiumyl)thio]propanamide IUPAC Name: N-(3-chlorophenyl)-2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanylpropanamide Traditional Name: N-(3-chlorophenyl)-2-[(4,6-diaminopyrimidine-1,3-diium-2-yl)thio]propionamide Formula: C13H16ClN5OS+2 MolecularWeight: 325.81704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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