N-(5-acetamido-2-methoxy-phenyl)-3-(1-tert-butyl-6-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-3-(1-tert-butyl-6-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-3-(1-tert-butyl-6-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-3-(1-tert-butyl-6-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-3-(1-tert-butyl-6-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-3-(1-tert-butyl-4-keto-6-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C22H28N6O4 MolecularWeight: 440.49552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6O4/c1-13-24-20-16(12-23-28(20)22(3,4)5)21(31)27(13)10-9-19(30)26-17-11-15(25-14(2)29)7-8-18(17)32-6/h7-8,11-12H,9-10H2,1-6H3,(H,25,29)(H,26,30)