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

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(5-tert-butyl-2-methoxy-phenyl)-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C

InChI

InChI=1S/C20H25N5O3/c1-20(2,3)13-6-7-16(28-5)15(10-13)23-17(26)8-9-25-12-21-18-14(19(25)27)11-22-24(18)4/h6-7,10-12H,8-9H2,1-5H3,(H,23,26)