2-[(4-azanyl-6-oxidanylidene-3-phenethyl-1H-pyrimidin-3-ium-2-yl)sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[(4-azanyl-6-oxidanylidene-3-phenethyl-1H-pyrimidin-3-ium-2-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[(4-amino-6-oxo-3-phenethyl-1H-pyrimidin-3-ium-2-yl)sulfanyl]-N-phenyl-acetamide CAS Name: 2-[(4-amino-6-oxo-3-phenethyl-1H-pyrimidin-3-ium-2-yl)thio]-N-phenylacetamide IUPAC Name: 2-[(4-amino-6-oxo-3-phenethyl-1H-pyrimidin-3-ium-2-yl)sulfanyl]-N-phenylacetamide Traditional Name: 2-[(4-amino-6-keto-3-phenethyl-1H-pyrimidin-3-ium-2-yl)thio]-N-phenyl-acetamide Formula: C20H21N4O2S+ MolecularWeight: 381.47134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[N+]2=C(NC(=O)C=C2N)SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC[N+]2=C(NC(=O)C=C2N)SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O2S/c21-17-13-18(25)23-20(24(17)12-11-15-7-3-1-4-8-15)27-14-19(26)22-16-9-5-2-6-10-16/h1-10,13H,11-12,14H2,(H3,21,22,25,26)/p+1