[6-methylidene-2-[2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]sulfanyl-3-prop-2-enyl-1H-pyrimidin-3-ium-4-yl]azanium

Systemtic Name: [6-methylidene-2-[2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]sulfanyl-3-prop-2-enyl-1H-pyrimidin-3-ium-4-yl]azanium Openeye Name: [3-allyl-6-methylene-2-[2-oxo-2-(2-pyridylamino)ethyl]sulfanyl-1H-pyrimidin-3-ium-4-yl]ammonium CAS Name: [6-methylene-2-[[2-oxo-2-(2-pyridinylamino)ethyl]thio]-3-prop-2-enyl-1H-pyrimidin-3-ium-4-yl]ammonium IUPAC Name: [6-methylidene-2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanyl-3-prop-2-enyl-1H-pyrimidin-3-ium-4-yl]azanium Traditional Name: [3-allyl-2-[[2-keto-2-(2-pyridylamino)ethyl]thio]-6-methylene-1H-pyrimidin-3-ium-4-yl]ammonium Formula: C15H19N5OS+2 MolecularWeight: 317.40926

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(NC(=C)C=C1[NH3+])SCC(=O)NC2=CC=CC=N2

Isomeric SMILES

C=CC[N+]1=C(NC(=C)C=C1[NH3+])SCC(=O)NC2=CC=CC=N2

InChI

InChI=1S/C15H17N5OS/c1-3-8-20-12(16)9-11(2)18-15(20)22-10-14(21)19-13-6-4-5-7-17-13/h3-7,9H,1-2,8,10,16H2,(H,17,19,21)/p+2