5-bromanyl-N-[2-[4-oxidanylidene-5-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[2-[4-oxidanylidene-5-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]furan-2-carboxamide Openeye Name: N-[2-(5-benzyl-4-oxo-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-bromo-furan-2-carboxamide CAS Name: 5-bromo-N-[2-[4-oxo-5-(phenylmethyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-furancarboxamide IUPAC Name: N-[2-(5-benzyl-4-oxopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-bromofuran-2-carboxamide Traditional Name: N-[2-(5-benzyl-4-keto-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-bromo-2-furamide Formula: C19H16BrN5O3 MolecularWeight: 442.26604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=NN3CCNC(=O)C4=CC=C(O4)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=NN3CCNC(=O)C4=CC=C(O4)Br

InChI

InChI=1S/C19H16BrN5O3/c20-16-7-6-15(28-16)18(26)21-8-9-25-17-14(10-23-25)19(27)24(12-22-17)11-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2,(H,21,26)