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

Systemtic Name: 3-[[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]amino]propanoic acid Openeye Name: 3-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]propanoic acid CAS Name: 3-[2-bromo-6-(4-pyrido[4,3-d]pyrimidinylamino)anilino]propanoic acid IUPAC Name: 3-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]propanoic acid Traditional Name: 3-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]propionic acid Formula: C16H14BrN5O2 MolecularWeight: 388.21866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN5O2/c17-11-2-1-3-13(15(11)19-7-5-14(23)24)22-16-10-8-18-6-4-12(10)20-9-21-16/h1-4,6,8-9,19H,5,7H2,(H,23,24)(H,20,21,22)