ethyl 5-[[4-[(4-tert-butylphenyl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-[[4-[(4-tert-butylphenyl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-[[4-(4-tert-butylanilino)-5-fluoro-pyrimidin-2-yl]amino]-1H-indole-2-carboxylate CAS Name: 5-[[4-(4-tert-butylanilino)-5-fluoro-2-pyrimidinyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-(4-tert-butylanilino)-5-fluoropyrimidin-2-yl]amino]-1H-indole-2-carboxylate Traditional Name: 5-[[4-(4-tert-butylanilino)-5-fluoro-pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C25H26FN5O2 MolecularWeight: 447.504643

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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=CC=C(C=C4)C(C)(C)C)F

Isomeric SMILES

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

InChI

InChI=1S/C25H26FN5O2/c1-5-33-23(32)21-13-15-12-18(10-11-20(15)30-21)29-24-27-14-19(26)22(31-24)28-17-8-6-16(7-9-17)25(2,3)4/h6-14,30H,5H2,1-4H3,(H2,27,28,29,31)