3-(1-tert-butyl-6-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(4-phenylazanylphenyl)propanamide

Systemtic Name: 3-(1-tert-butyl-6-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(4-phenylazanylphenyl)propanamide Openeye Name: N-(4-anilinophenyl)-3-(1-tert-butyl-6-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(4-anilinophenyl)-3-(1-tert-butyl-6-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(4-anilinophenyl)-3-(1-tert-butyl-6-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(4-anilinophenyl)-3-(1-tert-butyl-4-keto-6-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C25H28N6O2 MolecularWeight: 444.52882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C(C)(C)C)C(=O)N1CCC(=O)NC3=CC=C(C=C3)NC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C=NN2C(C)(C)C)C(=O)N1CCC(=O)NC3=CC=C(C=C3)NC4=CC=CC=C4

InChI

InChI=1S/C25H28N6O2/c1-17-27-23-21(16-26-31(23)25(2,3)4)24(33)30(17)15-14-22(32)29-20-12-10-19(11-13-20)28-18-8-6-5-7-9-18/h5-13,16,28H,14-15H2,1-4H3,(H,29,32)