2-[[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]amino]ethanoic acid

Systemtic Name: 2-[[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]amino]ethanoic acid Openeye Name: 2-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]acetic acid CAS Name: 2-[2-bromo-6-(4-pyrido[4,3-d]pyrimidinylamino)anilino]acetic acid IUPAC Name: 2-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]acetic acid Traditional Name: 2-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]acetic acid Formula: C15H12BrN5O2 MolecularWeight: 374.19208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Br)NCC(=O)O)NC2=NC=NC3=C2C=NC=C3

Isomeric SMILES

C1=CC(=C(C(=C1)Br)NCC(=O)O)NC2=NC=NC3=C2C=NC=C3

InChI

InChI=1S/C15H12BrN5O2/c16-10-2-1-3-12(14(10)18-7-13(22)23)21-15-9-6-17-5-4-11(9)19-8-20-15/h1-6,8,18H,7H2,(H,22,23)(H,19,20,21)