N4-(3-aminophenyl)-N2-(4H-1,4-benzoxazin-6-yl)-5-fluoranyl-pyrimidine-2,4-diamine

Systemtic Name: N4-(3-aminophenyl)-N2-(4H-1,4-benzoxazin-6-yl)-5-fluoranyl-pyrimidine-2,4-diamine Openeye Name: N4-(3-aminophenyl)-N2-(4H-1,4-benzoxazin-6-yl)-5-fluoro-pyrimidine-2,4-diamine CAS Name: N4-(3-aminophenyl)-N2-(4H-1,4-benzoxazin-6-yl)-5-fluoropyrimidine-2,4-diamine IUPAC Name: 4-N-(3-aminophenyl)-2-N-(4H-1,4-benzoxazin-6-yl)-5-fluoropyrimidine-2,4-diamine Traditional Name: [4-(3-aminoanilino)-5-fluoro-pyrimidin-2-yl]-(4H-1,4-benzoxazin-6-yl)amine Formula: C18H15FN6O MolecularWeight: 350.349703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC(=NC=C2F)NC3=CC4=C(C=C3)OC=CN4)N

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC(=NC=C2F)NC3=CC4=C(C=C3)OC=CN4)N

InChI

InChI=1S/C18H15FN6O/c19-14-10-22-18(25-17(14)23-12-3-1-2-11(20)8-12)24-13-4-5-16-15(9-13)21-6-7-26-16/h1-10,21H,20H2,(H2,22,23,24,25)