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

Systemtic Name: 2-[(4-azanyl-6-methylidene-3-prop-2-enyl-1H-pyrimidin-3-ium-2-yl)sulfanyl]-N-pyridin-2-yl-ethanamide Openeye Name: 2-[(3-allyl-4-amino-6-methylene-1H-pyrimidin-3-ium-2-yl)sulfanyl]-N-(2-pyridyl)acetamide CAS Name: 2-[(4-amino-6-methylene-3-prop-2-enyl-1H-pyrimidin-3-ium-2-yl)thio]-N-(2-pyridinyl)acetamide IUPAC Name: 2-[(4-amino-6-methylidene-3-prop-2-enyl-1H-pyrimidin-3-ium-2-yl)sulfanyl]-N-pyridin-2-ylacetamide Traditional Name: 2-[(3-allyl-4-amino-6-methylene-1H-pyrimidin-3-ium-2-yl)thio]-N-(2-pyridyl)acetamide Formula: C15H18N5OS+ MolecularWeight: 316.40132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C=CC[N+]1=C(NC(=C)C=C1N)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+1