2-[(4-azanyl-5-fluoranyl-pyrimidin-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-1-phenyl-ethanol

Systemtic Name: 2-[(4-azanyl-5-fluoranyl-pyrimidin-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-1-phenyl-ethanol Openeye Name: 2-[(4-amino-5-fluoro-pyrimidin-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-1-phenyl-ethanol CAS Name: 2-[(4-amino-5-fluoro-2-pyrimidinyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-1-phenylethanol IUPAC Name: 2-[(4-amino-5-fluoropyrimidin-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-1-phenylethanol Traditional Name: 2-[(4-amino-5-fluoro-pyrimidin-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-1-phenyl-ethanol Formula: C20H19FN4O3 MolecularWeight: 382.388263

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N(CC(C3=CC=CC=C3)O)C4=NC=C(C(=N4)N)F

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N(CC(C3=CC=CC=C3)O)C4=NC=C(C(=N4)N)F

InChI

InChI=1S/C20H19FN4O3/c21-15-11-23-20(24-19(15)22)25(12-16(26)13-4-2-1-3-5-13)14-6-7-17-18(10-14)28-9-8-27-17/h1-7,10-11,16,26H,8-9,12H2,(H2,22,23,24)