3-(2-ethyl-5-methyl-7-oxidanidyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-6-yl)propanoate

Systemtic Name: 3-(2-ethyl-5-methyl-7-oxidanidyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-6-yl)propanoate Openeye Name: 3-(2-ethyl-5-methyl-7-oxido-3-phenyl-pyrazolo[1,5-a]pyrimidin-6-yl)propanoate CAS Name: 3-(2-ethyl-5-methyl-7-oxido-3-phenyl-6-pyrazolo[1,5-a]pyrimidinyl)propanoate IUPAC Name: 3-(2-ethyl-5-methyl-7-oxido-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate Traditional Name: 3-(2-ethyl-5-methyl-7-oxido-3-phenyl-pyrazolo[1,5-a]pyrimidin-6-yl)propionate Formula: C18H17N3O3-2 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN2C(=C1C3=CC=CC=C3)N=C(C(=C2[O-])CCC(=O)[O-])C

Isomeric SMILES

CCC1=NN2C(=C1C3=CC=CC=C3)N=C(C(=C2[O-])CCC(=O)[O-])C

InChI

InChI=1S/C18H19N3O3/c1-3-14-16(12-7-5-4-6-8-12)17-19-11(2)13(9-10-15(22)23)18(24)21(17)20-14/h4-8,24H,3,9-10H2,1-2H3,(H,22,23)/p-2