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

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 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 (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)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 (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C20H19ClN6O3 MolecularWeight: 426.85626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)CCN2C=NC3=C(C2=O)C=NN3C)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1COC(=O)CCN2C=NC3=C(C2=O)C=NN3C)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H19ClN6O3/c1-13-16(18(21)27(24-13)14-6-4-3-5-7-14)11-30-17(28)8-9-26-12-22-19-15(20(26)29)10-23-25(19)2/h3-7,10,12H,8-9,11H2,1-2H3