methyl 5-[(4-azanyl-5-fluoranyl-pyrimidin-2-yl)-(4-tert-butylphenyl)amino]-2,3-dihydro-1-benzofuran-2-carboxylate

Systemtic Name: methyl 5-[(4-azanyl-5-fluoranyl-pyrimidin-2-yl)-(4-tert-butylphenyl)amino]-2,3-dihydro-1-benzofuran-2-carboxylate Openeye Name: methyl 5-(N-(4-amino-5-fluoro-pyrimidin-2-yl)-4-tert-butyl-anilino)-2,3-dihydrobenzofuran-2-carboxylate CAS Name: 5-(N-(4-amino-5-fluoro-2-pyrimidinyl)-4-tert-butylanilino)-2,3-dihydrobenzofuran-2-carboxylic acid methyl ester IUPAC Name: methyl 5-(N-(4-amino-5-fluoropyrimidin-2-yl)-4-tert-butylanilino)-2,3-dihydro-1-benzofuran-2-carboxylate Traditional Name: 5-(N-(4-amino-5-fluoro-pyrimidin-2-yl)-4-tert-butyl-anilino)coumaran-2-carboxylic acid methyl ester Formula: C24H25FN4O3 MolecularWeight: 436.478703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N(C2=CC3=C(C=C2)OC(C3)C(=O)OC)C4=NC=C(C(=N4)N)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N(C2=CC3=C(C=C2)OC(C3)C(=O)OC)C4=NC=C(C(=N4)N)F

InChI

InChI=1S/C24H25FN4O3/c1-24(2,3)15-5-7-16(8-6-15)29(23-27-13-18(25)21(26)28-23)17-9-10-19-14(11-17)12-20(32-19)22(30)31-4/h5-11,13,20H,12H2,1-4H3,(H2,26,27,28)