3-azanyl-N-(cyanomethyl)-6-(6-oxidanylidene-1-propan-2-yl-pyridin-3-yl)-5-phenyl-pyrazine-2-carboxamide

Systemtic Name: 3-azanyl-N-(cyanomethyl)-6-(6-oxidanylidene-1-propan-2-yl-pyridin-3-yl)-5-phenyl-pyrazine-2-carboxamide Openeye Name: 3-amino-N-(cyanomethyl)-6-(1-isopropyl-6-oxo-3-pyridyl)-5-phenyl-pyrazine-2-carboxamide CAS Name: 3-amino-N-(cyanomethyl)-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-5-phenyl-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-(cyanomethyl)-6-(6-oxo-1-propan-2-ylpyridin-3-yl)-5-phenylpyrazine-2-carboxamide Traditional Name: 3-amino-N-(cyanomethyl)-6-(1-isopropyl-6-keto-3-pyridyl)-5-phenyl-pyrazinamide Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=CC1=O)C2=C(N=C(C(=N2)C(=O)NCC#N)N)C3=CC=CC=C3

Isomeric SMILES

CC(C)N1C=C(C=CC1=O)C2=C(N=C(C(=N2)C(=O)NCC#N)N)C3=CC=CC=C3

InChI

InChI=1S/C21H20N6O2/c1-13(2)27-12-15(8-9-16(27)28)18-17(14-6-4-3-5-7-14)26-20(23)19(25-18)21(29)24-11-10-22/h3-9,12-13H,11H2,1-2H3,(H2,23,26)(H,24,29)