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

Systemtic Name: (4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoate Openeye Name: (4-chloro-2-isopropyl-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 (4-chloro-5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (4-chloro-5-methyl-2-propan-2-ylphenyl) 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 (4-chloro-2-isopropyl-5-methyl-phenyl) ester Formula: C18H19ClN4O3 MolecularWeight: 374.82146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)CN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)CN2C=NC3=C(C2=O)C=NN3C

InChI

InChI=1S/C18H19ClN4O3/c1-10(2)12-6-14(19)11(3)5-15(12)26-16(24)8-23-9-20-17-13(18(23)25)7-21-22(17)4/h5-7,9-10H,8H2,1-4H3