N-(1-oxidanidylpyridin-1-ium-3-yl)-5-pyrimidin-4-yl-4-thiophen-2-yl-pyrimidin-2-amine

Systemtic Name: N-(1-oxidanidylpyridin-1-ium-3-yl)-5-pyrimidin-4-yl-4-thiophen-2-yl-pyrimidin-2-amine Openeye Name: N-(1-oxidopyridin-1-ium-3-yl)-5-pyrimidin-4-yl-4-(2-thienyl)pyrimidin-2-amine CAS Name: N-(1-oxido-3-pyridin-1-iumyl)-5-(4-pyrimidinyl)-4-thiophen-2-yl-2-pyrimidinamine IUPAC Name: N-(1-oxidopyridin-1-ium-3-yl)-5-pyrimidin-4-yl-4-thiophen-2-ylpyrimidin-2-amine Traditional Name: (1-oxidopyridin-1-ium-3-yl)-[5-(4-pyrimidyl)-4-(2-thienyl)pyrimidin-2-yl]amine Formula: C17H12N6OS MolecularWeight: 348.38178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)[O-])NC2=NC=C(C(=N2)C3=CC=CS3)C4=NC=NC=C4

Isomeric SMILES

C1=CC(=C[N+](=C1)[O-])NC2=NC=C(C(=N2)C3=CC=CS3)C4=NC=NC=C4

InChI

InChI=1S/C17H12N6OS/c24-23-7-1-3-12(10-23)21-17-19-9-13(14-5-6-18-11-20-14)16(22-17)15-4-2-8-25-15/h1-11H,(H,19,21,22)