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

Systemtic Name: 3-[(2-azanyl-5-fluoranyl-pyrimidin-4-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]phenol Openeye Name: 3-[(2-amino-5-fluoro-pyrimidin-4-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]phenol CAS Name: 3-[(2-amino-5-fluoro-4-pyrimidinyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]phenol IUPAC Name: 3-[(2-amino-5-fluoropyrimidin-4-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]phenol Traditional Name: 3-[(2-amino-5-fluoro-pyrimidin-4-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]phenol Formula: C18H15FN4O3 MolecularWeight: 354.335103

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N(C3=CC(=CC=C3)O)C4=NC(=NC=C4F)N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N(C3=CC(=CC=C3)O)C4=NC(=NC=C4F)N

InChI

InChI=1S/C18H15FN4O3/c19-14-10-21-18(20)22-17(14)23(11-2-1-3-13(24)8-11)12-4-5-15-16(9-12)26-7-6-25-15/h1-5,8-10,24H,6-7H2,(H2,20,21,22)