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

Systemtic Name: 1-[5-(2-azanyl-8-methyl-7-oxidanylidene-pteridin-6-yl)-2-fluoranyl-phenyl]-3-(5-tert-butyl-2-phenyl-pyrazol-3-yl)urea Openeye Name: 1-[5-(2-amino-8-methyl-7-oxo-pteridin-6-yl)-2-fluoro-phenyl]-3-(5-tert-butyl-2-phenyl-pyrazol-3-yl)urea CAS Name: 1-[5-(2-amino-8-methyl-7-oxo-6-pteridinyl)-2-fluorophenyl]-3-(5-tert-butyl-2-phenyl-3-pyrazolyl)urea IUPAC Name: 1-[5-(2-amino-8-methyl-7-oxopteridin-6-yl)-2-fluorophenyl]-3-(5-tert-butyl-2-phenylpyrazol-3-yl)urea Traditional Name: 1-[5-(2-amino-7-keto-8-methyl-pteridin-6-yl)-2-fluoro-phenyl]-3-(5-tert-butyl-2-phenyl-pyrazol-3-yl)urea Formula: C27H26FN9O2 MolecularWeight: 527.552843

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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)N)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)N)F)C5=CC=CC=C5

InChI

InChI=1S/C27H26FN9O2/c1-27(2,3)20-13-21(37(35-20)16-8-6-5-7-9-16)33-26(39)32-18-12-15(10-11-17(18)28)22-24(38)36(4)23-19(31-22)14-30-25(29)34-23/h5-14H,1-4H3,(H2,29,30,34)(H2,32,33,39)