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

Systemtic Name: (2-chloranyl-5-methyl-phenyl) 2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoate Openeye Name: (2-chloro-5-methyl-phenyl) 2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetate CAS Name: 2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)acetic acid (2-chloro-5-methylphenyl) ester IUPAC Name: (2-chloro-5-methylphenyl) 2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetate Traditional Name: 2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetic acid (2-chloro-5-methyl-phenyl) ester Formula: C15H13ClN4O3 MolecularWeight: 332.74172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OC(=O)CN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OC(=O)CN2C=NC3=C(C2=O)C=NN3C

InChI

InChI=1S/C15H13ClN4O3/c1-9-3-4-11(16)12(5-9)23-13(21)7-20-8-17-14-10(15(20)22)6-18-19(14)2/h3-6,8H,7H2,1-2H3