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

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

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

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H27BrN4O3/c1-14-25-12-17(13-26-14)16(11-21(29)30)9-18(28)6-2-3-7-20-19(23)10-15-5-4-8-24-22(15)27-20/h10,12-13,16H,2-9,11H2,1H3,(H,24,27)(H,29,30)


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