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

Systemtic Name: 1-(2-nitrophenyl)-5-[(1-oxidanylcyclohexyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(1-hydroxycyclohexyl)methyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[(1-hydroxycyclohexyl)methyl]-1-(2-nitrophenyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[(1-hydroxycyclohexyl)methyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[(1-hydroxycyclohexyl)methyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H19N5O4 MolecularWeight: 369.37456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-])O

Isomeric SMILES

C1CCC(CC1)(CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-])O

InChI

InChI=1S/C18H19N5O4/c24-17-13-10-20-22(14-6-2-3-7-15(14)23(26)27)16(13)19-12-21(17)11-18(25)8-4-1-5-9-18/h2-3,6-7,10,12,25H,1,4-5,8-9,11H2