N2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoranyl-N4-pyrrol-1-yl-pyrimidine-2,4-diamine

Systemtic Name: N2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoranyl-N4-pyrrol-1-yl-pyrimidine-2,4-diamine Openeye Name: N2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-N4-pyrrol-1-yl-pyrimidine-2,4-diamine CAS Name: N2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-N4-(1-pyrrolyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-4-N-pyrrol-1-ylpyrimidine-2,4-diamine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[5-fluoro-4-(pyrrol-1-ylamino)pyrimidin-2-yl]amine Formula: C16H14FN5O2 MolecularWeight: 327.313063

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC3=NC=C(C(=N3)NN4C=CC=C4)F

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC3=NC=C(C(=N3)NN4C=CC=C4)F

InChI

InChI=1S/C16H14FN5O2/c17-12-10-18-16(20-15(12)21-22-5-1-2-6-22)19-11-3-4-13-14(9-11)24-8-7-23-13/h1-6,9-10H,7-8H2,(H2,18,19,20,21)