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

Systemtic Name: (3-methylphenyl)methyl 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: m-tolylmethyl 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 (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 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 (3-methylbenzyl) ester Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)CCN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)CCN2C=NC3=C(C2=O)C=NN3C

InChI

InChI=1S/C17H18N4O3/c1-12-4-3-5-13(8-12)10-24-15(22)6-7-21-11-18-16-14(17(21)23)9-19-20(16)2/h3-5,8-9,11H,6-7,10H2,1-2H3