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

Systemtic Name: 3-(1-tert-butyl-6-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(3-ethanoylphenyl)propanamide Openeye Name: N-(3-acetylphenyl)-3-(1-tert-butyl-6-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(3-acetylphenyl)-3-(1-tert-butyl-6-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(3-acetylphenyl)-3-(1-tert-butyl-6-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(3-acetylphenyl)-3-(1-tert-butyl-4-keto-6-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O3/c1-13(27)15-7-6-8-16(11-15)24-18(28)9-10-25-14(2)23-19-17(20(25)29)12-22-26(19)21(3,4)5/h6-8,11-12H,9-10H2,1-5H3,(H,24,28)