2-methyl-3-nitro-N-[2-[4-oxidanylidene-5-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide

Systemtic Name: 2-methyl-3-nitro-N-[2-[4-oxidanylidene-5-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Openeye Name: N-[2-(5-benzyl-4-oxo-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-methyl-3-nitro-benzamide CAS Name: 2-methyl-3-nitro-N-[2-[4-oxo-5-(phenylmethyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]benzamide IUPAC Name: N-[2-(5-benzyl-4-oxopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[2-(5-benzyl-4-keto-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-methyl-3-nitro-benzamide Formula: C22H20N6O4 MolecularWeight: 432.432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCN2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCN2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=CC=C4

InChI

InChI=1S/C22H20N6O4/c1-15-17(8-5-9-19(15)28(31)32)21(29)23-10-11-27-20-18(12-25-27)22(30)26(14-24-20)13-16-6-3-2-4-7-16/h2-9,12,14H,10-11,13H2,1H3,(H,23,29)