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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=CC(=O)N=C1SCC(=O)NC2=CC=CC=[NH+]2)N

Isomeric SMILES

C=CCN1C(=CC(=O)N=C1SCC(=O)NC2=CC=CC=[NH+]2)N

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,1,7,9,15H2,(H,16,17,21)/p+1