1-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]pyridin-1-ium-3-carboxamide Formula: C19H15N4O2S+ MolecularWeight: 363.413

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)C[N+]4=CC=CC(=C4)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)C[N+]4=CC=CC(=C4)C(=O)N

InChI

InChI=1S/C19H14N4O2S/c20-17(24)13-7-4-8-23(9-13)10-15-21-18(25)16-14(11-26-19(16)22-15)12-5-2-1-3-6-12/h1-9,11H,10H2,(H2-,20,21,22,24,25)/p+1