9-(3-bromanyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-2-(2-methylpyrimidin-5-yl)-5-oxidanylidene-nonanoic acid

Systemtic Name: 9-(3-bromanyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-2-(2-methylpyrimidin-5-yl)-5-oxidanylidene-nonanoic acid Openeye Name: 9-(3-bromo-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-2-(2-methylpyrimidin-5-yl)-5-oxo-nonanoic acid CAS Name: 9-(3-bromo-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-2-(2-methyl-5-pyrimidinyl)-5-oxononanoic acid IUPAC Name: 9-(3-bromo-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-2-(2-methylpyrimidin-5-yl)-5-oxononanoic acid Traditional Name: 9-(3-bromo-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-5-keto-2-(2-methylpyrimidin-5-yl)pelargonic acid Formula: C22H27BrN4O3 MolecularWeight: 475.37878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)C(CCC(=O)CCCCC2=C(C=C3CCCNC3=N2)Br)C(=O)O

Isomeric SMILES

CC1=NC=C(C=N1)C(CCC(=O)CCCCC2=C(C=C3CCCNC3=N2)Br)C(=O)O

InChI

InChI=1S/C22H27BrN4O3/c1-14-25-12-16(13-26-14)18(22(29)30)9-8-17(28)6-2-3-7-20-19(23)11-15-5-4-10-24-21(15)27-20/h11-13,18H,2-10H2,1H3,(H,24,27)(H,29,30)