N-(4-bromanyl-3-methyl-phenyl)-3-(1-tert-butyl-6-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-(1-tert-butyl-6-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-(1-tert-butyl-6-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(4-bromo-3-methylphenyl)-3-(1-tert-butyl-6-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-(1-tert-butyl-6-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-(1-tert-butyl-4-keto-6-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C20H24BrN5O2 MolecularWeight: 446.34086

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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)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrN5O2/c1-12-10-14(6-7-16(12)21)24-17(27)8-9-25-13(2)23-18-15(19(25)28)11-22-26(18)20(3,4)5/h6-7,10-11H,8-9H2,1-5H3,(H,24,27)