N-(4-bromanyl-3-methyl-phenyl)-3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-(1-tert-butyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(4-bromo-3-methylphenyl)-3-(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C19H22BrN5O2 MolecularWeight: 432.31428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN5O2/c1-12-9-13(5-6-15(12)20)23-16(26)7-8-24-11-21-17-14(18(24)27)10-22-25(17)19(2,3)4/h5-6,9-11H,7-8H2,1-4H3,(H,23,26)