3-(1-tert-butyl-3-methyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-(phenylmethyl)azetidine-1-carboxamide

Systemtic Name: 3-(1-tert-butyl-3-methyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-(phenylmethyl)azetidine-1-carboxamide Openeye Name: N-benzyl-3-(1-tert-butyl-3-methyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidine-1-carboxamide CAS Name: 3-(1-tert-butyl-3-methyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-(phenylmethyl)-1-azetidinecarboxamide IUPAC Name: N-benzyl-3-(1-tert-butyl-3-methyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidine-1-carboxamide Traditional Name: N-benzyl-3-(1-tert-butyl-4-keto-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidine-1-carboxamide Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=NC2=O)C3CN(C3)C(=O)NCC4=CC=CC=C4)N(N1)C(C)(C)C

Isomeric SMILES

CC1=C2C(=NC(=NC2=O)C3CN(C3)C(=O)NCC4=CC=CC=C4)N(N1)C(C)(C)C

InChI

InChI=1S/C21H26N6O2/c1-13-16-18(27(25-13)21(2,3)4)23-17(24-19(16)28)15-11-26(12-15)20(29)22-10-14-8-6-5-7-9-14/h5-9,15,25H,10-12H2,1-4H3,(H,22,29)