2-[(4-azanyl-6-oxidanylidene-3-prop-2-enyl-1H-pyrimidin-3-ium-2-yl)sulfanyl]-N-pyridin-2-yl-ethanamide

Systemtic Name: 2-[(4-azanyl-6-oxidanylidene-3-prop-2-enyl-1H-pyrimidin-3-ium-2-yl)sulfanyl]-N-pyridin-2-yl-ethanamide Openeye Name: 2-[(3-allyl-4-amino-6-oxo-1H-pyrimidin-3-ium-2-yl)sulfanyl]-N-(2-pyridyl)acetamide CAS Name: 2-[(4-amino-6-oxo-3-prop-2-enyl-1H-pyrimidin-3-ium-2-yl)thio]-N-(2-pyridinyl)acetamide IUPAC Name: 2-[(4-amino-6-oxo-3-prop-2-enyl-1H-pyrimidin-3-ium-2-yl)sulfanyl]-N-pyridin-2-ylacetamide Traditional Name: 2-[(3-allyl-4-amino-6-keto-1H-pyrimidin-3-ium-2-yl)thio]-N-(2-pyridyl)acetamide Formula: C14H16N5O2S+ MolecularWeight: 318.37414

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(NC(=O)C=C1N)SCC(=O)NC2=CC=CC=N2

Isomeric SMILES

C=CC[N+]1=C(NC(=O)C=C1N)SCC(=O)NC2=CC=CC=N2

InChI

InChI=1S/C14H15N5O2S/c1-2-7-19-10(15)8-12(20)18-14(19)22-9-13(21)17-11-5-3-4-6-16-11/h2-6,8H,1,7,9H2,(H3,15,16,17,20,21)/p+1