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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidine-1,3-diium-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidine-1,3-diiumyl)thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanylacetamide Traditional Name: N-benzyl-2-[(4,6-diaminopyrimidine-1,3-diium-2-yl)thio]acetamide Formula: C13H17N5OS+2 MolecularWeight: 291.37198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5OS/c14-10-6-11(15)18-13(17-10)20-8-12(19)16-7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,16,19)(H4,14,15,17,18)/p+2