3-[3-(4-chlorophenyl)-2-ethyl-5-methyl-7-oxidanidyl-pyrazolo[1,5-a]pyrimidin-6-yl]propanoate

Systemtic Name: 3-[3-(4-chlorophenyl)-2-ethyl-5-methyl-7-oxidanidyl-pyrazolo[1,5-a]pyrimidin-6-yl]propanoate Openeye Name: 3-[3-(4-chlorophenyl)-2-ethyl-5-methyl-7-oxido-pyrazolo[1,5-a]pyrimidin-6-yl]propanoate CAS Name: 3-[3-(4-chlorophenyl)-2-ethyl-5-methyl-7-oxido-6-pyrazolo[1,5-a]pyrimidinyl]propanoate IUPAC Name: 3-[3-(4-chlorophenyl)-2-ethyl-5-methyl-7-oxidopyrazolo[1,5-a]pyrimidin-6-yl]propanoate Traditional Name: 3-[3-(4-chlorophenyl)-2-ethyl-5-methyl-7-oxido-pyrazolo[1,5-a]pyrimidin-6-yl]propionate Formula: C18H16ClN3O3-2 MolecularWeight: 357.79094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O3/c1-3-14-16(11-4-6-12(19)7-5-11)17-20-10(2)13(8-9-15(23)24)18(25)22(17)21-14/h4-7,25H,3,8-9H2,1-2H3,(H,23,24)/p-2