[2-(4-butylphenyl)-2-oxidanylidene-ethyl] 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate

Systemtic Name: [2-(4-butylphenyl)-2-oxidanylidene-ethyl] 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: [2-(4-butylphenyl)-2-oxo-ethyl] 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanoic acid [2-(4-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butylphenyl)-2-oxoethyl] 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoate Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionic acid [2-(4-butylphenyl)-2-keto-ethyl] ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)COC(=O)CCN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)COC(=O)CCN2C=NC3=C(C2=O)C=NN3C

InChI

InChI=1S/C21H24N4O4/c1-3-4-5-15-6-8-16(9-7-15)18(26)13-29-19(27)10-11-25-14-22-20-17(21(25)28)12-23-24(20)2/h6-9,12,14H,3-5,10-11,13H2,1-2H3