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

Systemtic Name: 1-tert-butyl-5-[(3-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-tert-butyl-5-[(3-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-tert-butyl-5-[(3-chlorophenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-tert-butyl-5-[(3-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-tert-butyl-5-(3-chlorobenzyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C16H17ClN4O MolecularWeight: 316.78538

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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)Cl

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H17ClN4O/c1-16(2,3)21-14-13(8-19-21)15(22)20(10-18-14)9-11-5-4-6-12(17)7-11/h4-8,10H,9H2,1-3H3