9-(6-azanyl-3,5-dimethyl-pyridin-2-yl)-3-(2-methoxypyrimidin-5-yl)-5-oxidanylidene-nonanoic acid

Systemtic Name: 9-(6-azanyl-3,5-dimethyl-pyridin-2-yl)-3-(2-methoxypyrimidin-5-yl)-5-oxidanylidene-nonanoic acid Openeye Name: 9-(6-amino-3,5-dimethyl-2-pyridyl)-3-(2-methoxypyrimidin-5-yl)-5-oxo-nonanoic acid CAS Name: 9-(6-amino-3,5-dimethyl-2-pyridinyl)-3-(2-methoxy-5-pyrimidinyl)-5-oxononanoic acid IUPAC Name: 9-(6-amino-3,5-dimethylpyridin-2-yl)-3-(2-methoxypyrimidin-5-yl)-5-oxononanoic acid Traditional Name: 9-(6-amino-3,5-dimethyl-2-pyridyl)-5-keto-3-(2-methoxypyrimidin-5-yl)pelargonic acid Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N=C1CCCCC(=O)CC(CC(=O)O)C2=CN=C(N=C2)OC)N)C

Isomeric SMILES

CC1=CC(=C(N=C1CCCCC(=O)CC(CC(=O)O)C2=CN=C(N=C2)OC)N)C

InChI

InChI=1S/C21H28N4O4/c1-13-8-14(2)20(22)25-18(13)7-5-4-6-17(26)9-15(10-19(27)28)16-11-23-21(29-3)24-12-16/h8,11-12,15H,4-7,9-10H2,1-3H3,(H2,22,25)(H,27,28)