methyl 5-[[5-fluoranyl-4-[(3-hydroxyphenyl)amino]pyrimidin-2-yl]amino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-[[5-fluoranyl-4-[(3-hydroxyphenyl)amino]pyrimidin-2-yl]amino]-1H-indole-2-carboxylate Openeye Name: methyl 5-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate CAS Name: 5-[[5-fluoro-4-(3-hydroxyanilino)-2-pyrimidinyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate Traditional Name: 5-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C20H16FN5O3 MolecularWeight: 393.371143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16FN5O3/c1-29-19(28)17-8-11-7-13(5-6-16(11)25-17)24-20-22-10-15(21)18(26-20)23-12-3-2-4-14(27)9-12/h2-10,25,27H,1H3,(H2,22,23,24,26)