6-ethyl-1-phenyl-5-(phenylmethyl)-3aH-pyrazolo[3,4-d]pyrimidin-5-ium-4-one

Systemtic Name: 6-ethyl-1-phenyl-5-(phenylmethyl)-3aH-pyrazolo[3,4-d]pyrimidin-5-ium-4-one Openeye Name: 5-benzyl-6-ethyl-1-phenyl-3aH-pyrazolo[3,4-d]pyrimidin-5-ium-4-one CAS Name: 6-ethyl-1-phenyl-5-(phenylmethyl)-3aH-pyrazolo[3,4-d]pyrimidin-5-ium-4-one IUPAC Name: 5-benzyl-6-ethyl-1-phenyl-3aH-pyrazolo[3,4-d]pyrimidin-5-ium-4-one Traditional Name: 5-benzyl-6-ethyl-1-phenyl-3aH-pyrazolo[3,4-d]pyrimidin-5-ium-4-one Formula: C20H19N4O+ MolecularWeight: 331.39106

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C(=O)C2C=NN(C2=N1)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=[N+](C(=O)C2C=NN(C2=N1)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H19N4O/c1-2-18-22-19-17(13-21-24(19)16-11-7-4-8-12-16)20(25)23(18)14-15-9-5-3-6-10-15/h3-13,17H,2,14H2,1H3/q+1