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

Systemtic Name: 1-(2-nitrophenyl)-5-(3-oxidanylidenebutyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(2-nitrophenyl)-5-(3-oxobutyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2-nitrophenyl)-5-(3-oxobutyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-(2-nitrophenyl)-5-(3-oxobutyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(3-ketobutyl)-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C15H13N5O4 MolecularWeight: 327.29482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(=O)CCN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O4/c1-10(21)6-7-18-9-16-14-11(15(18)22)8-17-19(14)12-4-2-3-5-13(12)20(23)24/h2-5,8-9H,6-7H2,1H3