5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N2-[2-(1-oxidanidylpyridin-1-ium-4-yl)ethyl]-N4-phenyl-pyrimidine-2,4-diamine

Systemtic Name: 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N2-[2-(1-oxidanidylpyridin-1-ium-4-yl)ethyl]-N4-phenyl-pyrimidine-2,4-diamine Openeye Name: 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N2-[2-(1-oxidopyridin-1-ium-4-yl)ethyl]-N4-phenyl-pyrimidine-2,4-diamine CAS Name: 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N2-[2-(1-oxido-4-pyridin-1-iumyl)ethyl]-N4-phenylpyrimidine-2,4-diamine IUPAC Name: 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(1-oxidopyridin-1-ium-4-yl)ethyl]-4-N-phenylpyrimidine-2,4-diamine Traditional Name: [4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]-[2-(1-oxidopyridin-1-ium-4-yl)ethyl]amine Formula: C22H21N7O2 MolecularWeight: 415.44784

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(O2)C3=CN=C(N=C3NC4=CC=CC=C4)NCCC5=CC=[N+](C=C5)[O-]

Isomeric SMILES

C1CC1C2=NN=C(O2)C3=CN=C(N=C3NC4=CC=CC=C4)NCCC5=CC=[N+](C=C5)[O-]

InChI

InChI=1S/C22H21N7O2/c30-29-12-9-15(10-13-29)8-11-23-22-24-14-18(21-28-27-20(31-21)16-6-7-16)19(26-22)25-17-4-2-1-3-5-17/h1-5,9-10,12-14,16H,6-8,11H2,(H2,23,24,25,26)