1-tert-butyl-3-[2-[(4-fluoranyl-3-methyl-phenyl)amino]pteridin-7-yl]urea

Systemtic Name: 1-tert-butyl-3-[2-[(4-fluoranyl-3-methyl-phenyl)amino]pteridin-7-yl]urea Openeye Name: 1-tert-butyl-3-[2-(4-fluoro-3-methyl-anilino)pteridin-7-yl]urea CAS Name: 1-tert-butyl-3-[2-(4-fluoro-3-methylanilino)-7-pteridinyl]urea IUPAC Name: 1-tert-butyl-3-[2-(4-fluoro-3-methylanilino)pteridin-7-yl]urea Traditional Name: 1-tert-butyl-3-[2-(4-fluoro-3-methyl-anilino)pteridin-7-yl]urea Formula: C18H20FN7O MolecularWeight: 369.396103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=C3C(=N2)N=C(C=N3)NC(=O)NC(C)(C)C)F

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=C3C(=N2)N=C(C=N3)NC(=O)NC(C)(C)C)F

InChI

InChI=1S/C18H20FN7O/c1-10-7-11(5-6-12(10)19)22-16-21-8-13-15(25-16)23-14(9-20-13)24-17(27)26-18(2,3)4/h5-9H,1-4H3,(H3,21,22,23,24,25,26,27)