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

Systemtic Name: 4-[[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]amino]butanoic acid Openeye Name: 4-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]butanoic acid CAS Name: 4-[2-bromo-6-(4-pyrido[4,3-d]pyrimidinylamino)anilino]butanoic acid IUPAC Name: 4-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]butanoic acid Traditional Name: 4-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]butyric acid Formula: C17H16BrN5O2 MolecularWeight: 402.24524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN5O2/c18-12-3-1-4-14(16(12)20-7-2-5-15(24)25)23-17-11-9-19-8-6-13(11)21-10-22-17/h1,3-4,6,8-10,20H,2,5,7H2,(H,24,25)(H,21,22,23)