5-[2-fluoranyl-4-[(3-methylbutylamino)methyl]phenoxy]pyrazine-2-carboxamide

Systemtic Name: 5-[2-fluoranyl-4-[(3-methylbutylamino)methyl]phenoxy]pyrazine-2-carboxamide Openeye Name: 5-[2-fluoro-4-[(isopentylamino)methyl]phenoxy]pyrazine-2-carboxamide CAS Name: 5-[2-fluoro-4-[(3-methylbutylamino)methyl]phenoxy]-2-pyrazinecarboxamide IUPAC Name: 5-[2-fluoro-4-[(3-methylbutylamino)methyl]phenoxy]pyrazine-2-carboxamide Traditional Name: 5-[2-fluoro-4-[(isoamylamino)methyl]phenoxy]pyrazinamide Formula: C17H21FN4O2 MolecularWeight: 332.372643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNCC1=CC(=C(C=C1)OC2=NC=C(N=C2)C(=O)N)F

Isomeric SMILES

CC(C)CCNCC1=CC(=C(C=C1)OC2=NC=C(N=C2)C(=O)N)F

InChI

InChI=1S/C17H21FN4O2/c1-11(2)5-6-20-8-12-3-4-15(13(18)7-12)24-16-10-21-14(9-22-16)17(19)23/h3-4,7,9-11,20H,5-6,8H2,1-2H3,(H2,19,23)