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

Systemtic Name: 1-tert-butyl-5-[(3-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-tert-butyl-5-[(3-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-tert-butyl-5-[(3-nitrophenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-tert-butyl-5-[(3-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-tert-butyl-5-(3-nitrobenzyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O3/c1-16(2,3)20-14-13(8-18-20)15(22)19(10-17-14)9-11-5-4-6-12(7-11)21(23)24/h4-8,10H,9H2,1-3H3