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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C1=C(C=CC=C1Br)NC2=NC=NC3=C2C=NC=C3

Isomeric SMILES

CN(CC(=O)O)C1=C(C=CC=C1Br)NC2=NC=NC3=C2C=NC=C3

InChI

InChI=1S/C16H14BrN5O2/c1-22(8-14(23)24)15-11(17)3-2-4-13(15)21-16-10-7-18-6-5-12(10)19-9-20-16/h2-7,9H,8H2,1H3,(H,23,24)(H,19,20,21)