N-[2-[4-oxidanylidene-5-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[2-[4-oxidanylidene-5-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-9H-xanthene-9-carboxamide Openeye Name: N-[2-(5-benzyl-4-oxo-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-9H-xanthene-9-carboxamide CAS Name: N-[2-[4-oxo-5-(phenylmethyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[2-(5-benzyl-4-oxopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-9H-xanthene-9-carboxamide Traditional Name: N-[2-(5-benzyl-4-keto-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-9H-xanthene-9-carboxamide Formula: C28H23N5O3 MolecularWeight: 477.51392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=NN3CCNC(=O)C4C5=CC=CC=C5OC6=CC=CC=C46

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=NN3CCNC(=O)C4C5=CC=CC=C5OC6=CC=CC=C46

InChI

InChI=1S/C28H23N5O3/c34-27(25-20-10-4-6-12-23(20)36-24-13-7-5-11-21(24)25)29-14-15-33-26-22(16-31-33)28(35)32(18-30-26)17-19-8-2-1-3-9-19/h1-13,16,18,25H,14-15,17H2,(H,29,34)