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

Systemtic Name: methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoranyl-pyrimidin-4-yl]amino]-1-methyl-pyrrole-2-carboxylate Openeye Name: methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-pyrimidin-4-yl]amino]-1-methyl-pyrrole-2-carboxylate CAS Name: 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-4-pyrimidinyl]amino]-1-methyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoropyrimidin-4-yl]amino]-1-methylpyrrole-2-carboxylate Traditional Name: 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-pyrimidin-4-yl]amino]-1-methyl-pyrrole-2-carboxylic acid methyl ester Formula: C19H18FN5O4 MolecularWeight: 399.375723

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OC)NC2=NC(=NC=C2F)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN1C=C(C=C1C(=O)OC)NC2=NC(=NC=C2F)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H18FN5O4/c1-25-10-12(7-14(25)18(26)27-2)22-17-13(20)9-21-19(24-17)23-11-3-4-15-16(8-11)29-6-5-28-15/h3-4,7-10H,5-6H2,1-2H3,(H2,21,22,23,24)