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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidine-1,3-diium-2-yl]sulfanyl-N-(3-chlorophenyl)ethanamide Openeye Name: N-(3-chlorophenyl)-2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-acetamide CAS Name: N-(3-chlorophenyl)-2-[(4,6-diamino-2-pyrimidine-1,3-diiumyl)thio]acetamide IUPAC Name: N-(3-chlorophenyl)-2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanylacetamide Traditional Name: N-(3-chlorophenyl)-2-[(4,6-diaminopyrimidine-1,3-diium-2-yl)thio]acetamide Formula: C12H14ClN5OS+2 MolecularWeight: 311.79046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NC(=O)CSC2=[NH+]C(=CC(=[NH+]2)N)N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NC(=O)CSC2=[NH+]C(=CC(=[NH+]2)N)N

InChI

InChI=1S/C12H12ClN5OS/c13-7-2-1-3-8(4-7)16-11(19)6-20-12-17-9(14)5-10(15)18-12/h1-5H,6H2,(H,16,19)(H4,14,15,17,18)/p+2