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

Systemtic Name: 5-(2-methylprop-2-enyl)-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(2-methylallyl)-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(2-methylprop-2-enyl)-1-(4-nitrophenyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-(2-methylprop-2-enyl)-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(2-methylallyl)-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C15H13N5O3 MolecularWeight: 311.29542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C=NC2=C(C1=O)C=NN2C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=C)CN1C=NC2=C(C1=O)C=NN2C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O3/c1-10(2)8-18-9-16-14-13(15(18)21)7-17-19(14)11-3-5-12(6-4-11)20(22)23/h3-7,9H,1,8H2,2H3