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

Systemtic Name: 2-[[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]amino]ethanesulfonic acid Openeye Name: 2-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]ethanesulfonic acid CAS Name: 2-[2-bromo-6-(4-pyrido[4,3-d]pyrimidinylamino)anilino]ethanesulfonic acid IUPAC Name: 2-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]ethanesulfonic acid Traditional Name: 2-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]ethanesulfonic acid Formula: C15H14BrN5O3S MolecularWeight: 424.27236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14BrN5O3S/c16-11-2-1-3-13(14(11)18-6-7-25(22,23)24)21-15-10-8-17-5-4-12(10)19-9-20-15/h1-5,8-9,18H,6-7H2,(H,19,20,21)(H,22,23,24)