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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NCC3=CC=CC=C3OC

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NCC3=CC=CC=C3OC

InChI

InChI=1S/C20H25N5O3/c1-20(2,3)25-18-15(12-23-25)19(27)24(13-22-18)10-9-17(26)21-11-14-7-5-6-8-16(14)28-4/h5-8,12-13H,9-11H2,1-4H3,(H,21,26)