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

Systemtic Name: (2-chloranyl-5-methyl-phenyl) 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: (2-chloro-5-methyl-phenyl) 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-chloro-5-methylphenyl) ester IUPAC Name: (2-chloro-5-methylphenyl) 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-chloro-5-methyl-phenyl) ester Formula: C16H15ClN4O3 MolecularWeight: 346.7683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN4O3/c1-10-3-4-12(17)13(7-10)24-14(22)5-6-21-9-18-15-11(16(21)23)8-19-20(15)2/h3-4,7-9H,5-6H2,1-2H3