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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-1-ium-2-yl]sulfanyl-N,N-diphenyl-ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-1-ium-2-yl)sulfanyl-N,N-diphenyl-acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidin-1-iumyl)thio]-N,N-diphenylacetamide IUPAC Name: 2-(4,6-diaminopyrimidin-1-ium-2-yl)sulfanyl-N,N-diphenylacetamide Traditional Name: 2-[(4,6-diaminopyrimidin-1-ium-2-yl)thio]-N,N-diphenyl-acetamide Formula: C18H18N5OS+ MolecularWeight: 352.43342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)CSC3=NC(=CC(=[NH+]3)N)N

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)CSC3=NC(=CC(=[NH+]3)N)N

InChI

InChI=1S/C18H17N5OS/c19-15-11-16(20)22-18(21-15)25-12-17(24)23(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11H,12H2,(H4,19,20,21,22)/p+1