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

Systemtic Name: 3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(5-chloranyl-2-methoxy-phenyl)propanamide Openeye Name: 3-(1-tert-butyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(5-chloro-2-methoxy-phenyl)propanamide CAS Name: 3-(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-(5-chloro-2-methoxyphenyl)propanamide IUPAC Name: 3-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-(5-chloro-2-methoxyphenyl)propanamide Traditional Name: 3-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(5-chloro-2-methoxy-phenyl)propionamide Formula: C19H22ClN5O3 MolecularWeight: 403.86268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C19H22ClN5O3/c1-19(2,3)25-17-13(10-22-25)18(27)24(11-21-17)8-7-16(26)23-14-9-12(20)5-6-15(14)28-4/h5-6,9-11H,7-8H2,1-4H3,(H,23,26)