6-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-phenyl-1,3a-dihydropyrazolo[3,4-d]pyrimidin-5-ium-4-one

Systemtic Name: 6-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-phenyl-1,3a-dihydropyrazolo[3,4-d]pyrimidin-5-ium-4-one Openeye Name: 6-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-phenyl-1,3a-dihydropyrazolo[3,4-d]pyrimidin-5-ium-4-one CAS Name: 6-(2-imidazo[1,2-a]pyrimidinylmethylthio)-5-phenyl-1,3a-dihydropyrazolo[3,4-d]pyrimidin-5-ium-4-one IUPAC Name: 6-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-phenyl-1,3a-dihydropyrazolo[3,4-d]pyrimidin-5-ium-4-one Traditional Name: 6-(imidazo[1,2-a]pyrimidin-2-ylmethylthio)-5-phenyl-1,3a-dihydropyrazolo[3,4-d]pyrimidin-5-ium-4-one Formula: C18H14N7OS+ MolecularWeight: 376.41506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(N=C3C(C2=O)C=NN3)SCC4=CN5C=CC=NC5=N4

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(N=C3C(C2=O)C=NN3)SCC4=CN5C=CC=NC5=N4

InChI

InChI=1S/C18H13N7OS/c26-16-14-9-20-23-15(14)22-18(25(16)13-5-2-1-3-6-13)27-11-12-10-24-8-4-7-19-17(24)21-12/h1-10,14H,11H2/p+1