ethyl 5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoranyl-pyrimidin-2-yl]amino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoranyl-pyrimidin-2-yl]amino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-pyrimidin-2-yl]amino]-1H-indole-2-carboxylate CAS Name: 5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-2-pyrimidinyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoropyrimidin-2-yl]amino]-1H-indole-2-carboxylate Traditional Name: 5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C23H20FN5O4 MolecularWeight: 449.434403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)NC3=NC=C(C(=N3)NC4=CC5=C(C=C4)OCCO5)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)NC3=NC=C(C(=N3)NC4=CC5=C(C=C4)OCCO5)F

InChI

InChI=1S/C23H20FN5O4/c1-2-31-22(30)18-10-13-9-14(3-5-17(13)28-18)27-23-25-12-16(24)21(29-23)26-15-4-6-19-20(11-15)33-8-7-32-19/h3-6,9-12,28H,2,7-8H2,1H3,(H2,25,26,27,29)