butyl 4-[5-fluoranyl-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]benzoate

Systemtic Name: butyl 4-[5-fluoranyl-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]benzoate Openeye Name: butyl 4-[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]benzoate CAS Name: 4-[5-fluoro-2-[(1-methyl-5-indazolyl)amino]-4-pyrimidinyl]benzoic acid butyl ester IUPAC Name: butyl 4-[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]benzoate Traditional Name: 4-[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]benzoic acid butyl ester Formula: C23H22FN5O2 MolecularWeight: 419.451483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)C2=NC(=NC=C2F)NC3=CC4=C(C=C3)N(N=C4)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)C2=NC(=NC=C2F)NC3=CC4=C(C=C3)N(N=C4)C

InChI

InChI=1S/C23H22FN5O2/c1-3-4-11-31-22(30)16-7-5-15(6-8-16)21-19(24)14-25-23(28-21)27-18-9-10-20-17(12-18)13-26-29(20)2/h5-10,12-14H,3-4,11H2,1-2H3,(H,25,27,28)