3-azanyl-N-[[4-[2,5-bis(fluoranyl)phenyl]-1-pyrimidin-2-yl-piperidin-4-yl]methyl]pyrazine-2-carboxamide

Systemtic Name: 3-azanyl-N-[[4-[2,5-bis(fluoranyl)phenyl]-1-pyrimidin-2-yl-piperidin-4-yl]methyl]pyrazine-2-carboxamide Openeye Name: 3-amino-N-[[4-(2,5-difluorophenyl)-1-pyrimidin-2-yl-4-piperidyl]methyl]pyrazine-2-carboxamide CAS Name: 3-amino-N-[[4-(2,5-difluorophenyl)-1-(2-pyrimidinyl)-4-piperidinyl]methyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-[[4-(2,5-difluorophenyl)-1-pyrimidin-2-ylpiperidin-4-yl]methyl]pyrazine-2-carboxamide Traditional Name: 3-amino-N-[[4-(2,5-difluorophenyl)-1-(2-pyrimidyl)-4-piperidyl]methyl]pyrazinamide Formula: C21H21F2N7O MolecularWeight: 425.434546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CNC(=O)C2=NC=CN=C2N)C3=C(C=CC(=C3)F)F)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCC1(CNC(=O)C2=NC=CN=C2N)C3=C(C=CC(=C3)F)F)C4=NC=CC=N4

InChI

InChI=1S/C21H21F2N7O/c22-14-2-3-16(23)15(12-14)21(13-29-19(31)17-18(24)26-9-8-25-17)4-10-30(11-5-21)20-27-6-1-7-28-20/h1-3,6-9,12H,4-5,10-11,13H2,(H2,24,26)(H,29,31)