N-(4-bromanyl-2-methyl-phenyl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(4-bromo-2-methylphenyl)-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(4-bromo-2-methylphenyl)-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C16H16BrN5O2 MolecularWeight: 390.23454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrN5O2/c1-10-7-11(17)3-4-13(10)20-14(23)5-6-22-9-18-15-12(16(22)24)8-19-21(15)2/h3-4,7-9H,5-6H2,1-2H3,(H,20,23)