5-[(5-ethanoyl-2-methoxy-phenyl)methyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[(5-ethanoyl-2-methoxy-phenyl)methyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(5-acetyl-2-methoxy-phenyl)methyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[(5-acetyl-2-methoxyphenyl)methyl]-1-(2-nitrophenyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[(5-acetyl-2-methoxyphenyl)methyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(5-acetyl-2-methoxy-benzyl)-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H17N5O5 MolecularWeight: 419.39018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O5/c1-13(27)14-7-8-19(31-2)15(9-14)11-24-12-22-20-16(21(24)28)10-23-25(20)17-5-3-4-6-18(17)26(29)30/h3-10,12H,11H2,1-2H3