2-[1-[2,6-bis(chloranyl)pyrimidin-4-yl]indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-[2,6-bis(chloranyl)pyrimidin-4-yl]indol-3-yl]ethanoic acid Openeye Name: 2-[1-(2,6-dichloropyrimidin-4-yl)indol-3-yl]acetic acid CAS Name: 2-[1-(2,6-dichloro-4-pyrimidinyl)-3-indolyl]acetic acid IUPAC Name: 2-[1-(2,6-dichloropyrimidin-4-yl)indol-3-yl]acetic acid Traditional Name: 2-[1-(2,6-dichloropyrimidin-4-yl)indol-3-yl]acetic acid Formula: C14H9Cl2N3O2 MolecularWeight: 322.14616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2C3=CC(=NC(=N3)Cl)Cl)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2C3=CC(=NC(=N3)Cl)Cl)CC(=O)O

InChI

InChI=1S/C14H9Cl2N3O2/c15-11-6-12(18-14(16)17-11)19-7-8(5-13(20)21)9-3-1-2-4-10(9)19/h1-4,6-7H,5H2,(H,20,21)