2,5-dimethyl-8-oxidanidyl-7-pentan-3-yl-3-(2,4,6-trimethylphenyl)-7H-pyrazolo[1,5-a]pyrimidin-8-ium-6-one

Systemtic Name: 2,5-dimethyl-8-oxidanidyl-7-pentan-3-yl-3-(2,4,6-trimethylphenyl)-7H-pyrazolo[1,5-a]pyrimidin-8-ium-6-one Openeye Name: 7-(1-ethylpropyl)-2,5-dimethyl-8-oxido-3-(2,4,6-trimethylphenyl)-7H-pyrazolo[1,5-a]pyrimidin-8-ium-6-one CAS Name: 2,5-dimethyl-8-oxido-7-pentan-3-yl-3-(2,4,6-trimethylphenyl)-7H-pyrazolo[1,5-a]pyrimidin-8-ium-6-one IUPAC Name: 2,5-dimethyl-8-oxido-7-pentan-3-yl-3-(2,4,6-trimethylphenyl)-7H-pyrazolo[1,5-a]pyrimidin-8-ium-6-one Traditional Name: 7-(1-ethylpropyl)-3-mesityl-2,5-dimethyl-8-oxido-7H-pyrazolo[1,5-a]pyrimidin-8-ium-6-one Formula: C22H29N3O2 MolecularWeight: 367.48456

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1C(=O)C(=NC2=C(C(=N[N+]12[O-])C)C3=C(C=C(C=C3C)C)C)C

Isomeric SMILES

CCC(CC)C1C(=O)C(=NC2=C(C(=N[N+]12[O-])C)C3=C(C=C(C=C3C)C)C)C

InChI

InChI=1S/C22H29N3O2/c1-8-17(9-2)20-21(26)16(7)23-22-19(15(6)24-25(20,22)27)18-13(4)10-12(3)11-14(18)5/h10-11,17,20H,8-9H2,1-7H3