1-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-[2-fluoranyl-5-[8-methyl-2-(methylamino)-7-oxidanylidene-pteridin-6-yl]phenyl]urea

Systemtic Name: 1-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-[2-fluoranyl-5-[8-methyl-2-(methylamino)-7-oxidanylidene-pteridin-6-yl]phenyl]urea Openeye Name: 1-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-[2-fluoro-5-[8-methyl-2-(methylamino)-7-oxo-pteridin-6-yl]phenyl]urea CAS Name: 1-(5-tert-butyl-2-phenyl-3-pyrazolyl)-3-[2-fluoro-5-[8-methyl-2-(methylamino)-7-oxo-6-pteridinyl]phenyl]urea IUPAC Name: 1-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-[2-fluoro-5-[8-methyl-2-(methylamino)-7-oxopteridin-6-yl]phenyl]urea Traditional Name: 1-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-[2-fluoro-5-[7-keto-8-methyl-2-(methylamino)pteridin-6-yl]phenyl]urea Formula: C28H28FN9O2 MolecularWeight: 541.579423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C(C=CC(=C2)C3=NC4=CN=C(N=C4N(C3=O)C)NC)F)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C(C=CC(=C2)C3=NC4=CN=C(N=C4N(C3=O)C)NC)F)C5=CC=CC=C5

InChI

InChI=1S/C28H28FN9O2/c1-28(2,3)21-14-22(38(36-21)17-9-7-6-8-10-17)34-27(40)33-19-13-16(11-12-18(19)29)23-25(39)37(5)24-20(32-23)15-31-26(30-4)35-24/h6-15H,1-5H3,(H,30,31,35)(H2,33,34,40)