3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: 3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-(1-tert-butyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(3-pyridylmethyl)propanamide CAS Name: 3-(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(3-pyridylmethyl)propionamide Formula: C18H22N6O2 MolecularWeight: 354.40628

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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=CN=CC=C3

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C18H22N6O2/c1-18(2,3)24-16-14(11-22-24)17(26)23(12-21-16)8-6-15(25)20-10-13-5-4-7-19-9-13/h4-5,7,9,11-12H,6,8,10H2,1-3H3,(H,20,25)