2-(2-cyano-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-6-yl)ethyl 3-methylbenzoate

Systemtic Name: 2-(2-cyano-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-6-yl)ethyl 3-methylbenzoate Openeye Name: 2-(2-cyano-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)ethyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid 2-(2-cyano-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)ethyl ester IUPAC Name: 2-(2-cyano-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)ethyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid 2-(2-cyano-7-keto-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)ethyl ester Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCCC2=C(N=C3C=C(NN3C2=O)C#N)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCCC2=C(N=C3C=C(NN3C2=O)C#N)C

InChI

InChI=1S/C18H16N4O3/c1-11-4-3-5-13(8-11)18(24)25-7-6-15-12(2)20-16-9-14(10-19)21-22(16)17(15)23/h3-5,8-9,21H,6-7H2,1-2H3